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Coumarins and derivatives

Aromatic organic compounds that contain a benzene ring with two adjacent hydrogen atoms replaced by a lactone-like chain, forming a second six-membered heterocycle that shares two carbons with the benzene ring with the formula: C9H6O2.
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1

4-Methylumbelliferyl Alpha-L-Idopyranosiduronic Acid 2,4-Disulfate Trisodium Salt, TRC

High-purity organic molecules and analytical standards, strategically delivered worldwide to empower innovation and commercial success.

Molecular Weight (g/mol) 578.36
InChI Formula InChI=1S/C16H16O15S2.3Na/c1-6-4-10(17)28-9-5-7(2-3-8(6)9)27-16-13(31-33(24,25)26)11(18)12(30-32(21,22)23)14(29-16)15(19)20;;;/h2-5,11-14,16,18H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26);;;/q;3*+1/p-3/t11-,12-,13+,14+,16+;;;/m0.../s1
Chemical Name or Material 4-Methylumbelliferyl alpha-L-Idopyranosiduronic Acid 2,4-Disulfate Trisodium Salt
SMILES [Na+].[Na+].[Na+].CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H]([C@@H](OS(=O)(=O)[O-])[C@H](O)[C@H]3OS(=O)(=O)[O-])C(=O)[O-])ccc12
Synonym 4-Methylumbelliferyl alpha-L-Iduronic Acid-2,4-disulfate Sodium Salt
Recommended Storage +4°C
Molecular Formula C16H13Na3O15S2
2

Acenocoumarol, TRC

CAS: 152-72-7 Molecular Formula: C19 H15 N O6 Molecular Weight (g/mol): 353.33 Synonym: 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-,Acenocoumarol (6CI),Coumarin, 3-(α-acetonyl-p-nitrobenzyl)-4-hydroxy- (8CI),(±)-Acenocoumarin,(±)-Acenocoumarol,(±)-Nicoumalone,(±)-p-Nitrowarfarin,3-(Alpha-acetonyl-4-nitrobenzyl)-4-hydroxycoumarin,3-(α-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin,3-(α-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin,3-(α-p-Nitrophenyl-β-acetylethyl)-4-hydroxycoumarin,3-[2-Acetyl-1-(p-nitrophenyl)ethyl]-4-hydroxycoumarin,3-[α-(4'-Nitrophenyl)-β-acetylethyl]-4-hydroxycoumarin,3-[α-(p-Nitrophenol)-β-acetylethyl]-4-hydroxycoumarin,4-Hydroxy-2-oxo-3-[3-oxo-1-(4-nitrophenyl)butyl]-2H-chromene,Acebron,Acenocoumarin,Acenokumarol,Acitrom,Ascumar,DL-3-(α-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin,G 23,350,G 23350,Minisintrom,Neo-Sintrom,Nicoumalone,Nitrowarfarin,Sincoumar,Sinkumar,Sinthrom,Sinthrome,Sintrom,Sintrom Mitis,Sintroma,Syncoumar,Syncumar,Syntrom,Trombostop,Zotil IUPAC Name: 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one SMILES: CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccc(cc3)[N+](=O)[O-]

CAS 152-72-7
Molecular Weight (g/mol) 353.33
SMILES CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccc(cc3)[N+](=O)[O-]
Synonym 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]-,Acenocoumarol (6CI),Coumarin, 3-(α-acetonyl-p-nitrobenzyl)-4-hydroxy- (8CI),(±)-Acenocoumarin,(±)-Acenocoumarol,(±)-Nicoumalone,(±)-p-Nitrowarfarin,3-(Alpha-acetonyl-4-nitrobenzyl)-4-hydroxycoumarin,3-(α-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin,3-(α-Acetonyl-p-nitrobenzyl)-4-hydroxycoumarin,3-(α-p-Nitrophenyl-β-acetylethyl)-4-hydroxycoumarin,3-[2-Acetyl-1-(p-nitrophenyl)ethyl]-4-hydroxycoumarin,3-[α-(4'-Nitrophenyl)-β-acetylethyl]-4-hydroxycoumarin,3-[α-(p-Nitrophenol)-β-acetylethyl]-4-hydroxycoumarin,4-Hydroxy-2-oxo-3-[3-oxo-1-(4-nitrophenyl)butyl]-2H-chromene,Acebron,Acenocoumarin,Acenokumarol,Acitrom,Ascumar,DL-3-(α-Acetonyl-4-nitrobenzyl)-4-hydroxycoumarin,G 23,350,G 23350,Minisintrom,Neo-Sintrom,Nicoumalone,Nitrowarfarin,Sincoumar,Sinkumar,Sinthrom,Sinthrome,Sintrom,Sintrom Mitis,Sintroma,Syncoumar,Syncumar,Syntrom,Trombostop,Zotil
IUPAC Name 4-hydroxy-3-[1-(4-nitrophenyl)-3-oxobutyl]chromen-2-one
Molecular Formula C19 H15 N O6
3

4-Methylumbelliferyl a-L-Idopyranosiduronic Acid, Sodium, TRC

CAS: 89157-94-8 Molecular Formula: C16 H15 O9 . Na Molecular Weight (g/mol): 374.27 Synonym: 4-Methylumbelliferyl alpha-L-Iduronic Acid, Sodium IUPAC Name: sodium;(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylate SMILES: [Na+].CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)[O-])ccc12

CAS 89157-94-8
Molecular Weight (g/mol) 374.27
SMILES [Na+].CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H]([C@@H](O)[C@H](O)[C@H]3O)C(=O)[O-])ccc12
Synonym 4-Methylumbelliferyl alpha-L-Iduronic Acid, Sodium
IUPAC Name sodium;(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-methyl-2-oxochromen-7-yl)oxyoxane-2-carboxylate
Molecular Formula C16 H15 O9 . Na
4

Praeruptorin A, TRC

CAS: 73069-25-7 Molecular Formula: C21 H22 O7 Molecular Weight (g/mol): 386.4 Synonym: 2-Butenoic acid, 2-methyl-, (9R,10R)-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)-rel-,2-Butenoic acid, 2-methyl-, 10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, [9α(Z),10α]-(±)-,2H,8H-Benzo[1,2-b:3,4-b']dipyran, 2-butenoic acid deriv.,(±)-Praeruptorin A,2-Butenoic acid, 2-methyl-, 10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, [9α(Z),10α]-,dl-Praeruptorin A,Praeruptorin A,2-Methyl-2-butenoic Acid [9α(Z),10α]-(±)-10-(Acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl Ester,2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-butenoic Acid deriv.,2-Methyl-2-Butenoic Acid [9α(Z),10α]-10-(Acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl Ester; IUPAC Name: [(9S,10S)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate SMILES: C\C=C(\C)/C(=O)O[C@H]1[C@@H](OC(=O)C)c2c(OC1(C)C)ccc3C=CC(=O)Oc23

CAS 73069-25-7
Molecular Weight (g/mol) 386.4
SMILES C\C=C(\C)/C(=O)O[C@H]1[C@@H](OC(=O)C)c2c(OC1(C)C)ccc3C=CC(=O)Oc23
Synonym 2-Butenoic acid, 2-methyl-, (9R,10R)-10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, (2Z)-rel-,2-Butenoic acid, 2-methyl-, 10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, [9α(Z),10α]-(±)-,2H,8H-Benzo[1,2-b:3,4-b']dipyran, 2-butenoic acid deriv.,(±)-Praeruptorin A,2-Butenoic acid, 2-methyl-, 10-(acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl ester, [9α(Z),10α]-,dl-Praeruptorin A,Praeruptorin A,2-Methyl-2-butenoic Acid [9α(Z),10α]-(±)-10-(Acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl Ester,2H,8H-Benzo[1,2-b:3,4-b']dipyran-2-butenoic Acid deriv.,2-Methyl-2-Butenoic Acid [9α(Z),10α]-10-(Acetyloxy)-9,10-dihydro-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-b']dipyran-9-yl Ester;
IUPAC Name [(9S,10S)-10-acetoxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] (Z)-2-methylbut-2-enoate
Molecular Formula C21 H22 O7
5

Coumarin, 98%

CAS: 91-64-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00006850 InChI Key: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Synonym: coumarin,2h-chromen-2-one,2h-1-benzopyran-2-one,cumarin,1,2-benzopyrone,rattex,tonka bean camphor,coumarinic anhydride,coumarine,benzo-alpha-pyrone PubChem CID: 323 ChEBI: CHEBI:28794 SMILES: O=C1OC2=CC=CC=C2C=C1

PubChem CID 323
CAS 91-64-5
Molecular Weight (g/mol) 146.15
ChEBI CHEBI:28794
MDL Number MFCD00006850
SMILES O=C1OC2=CC=CC=C2C=C1
Synonym coumarin,2h-chromen-2-one,2h-1-benzopyran-2-one,cumarin,1,2-benzopyrone,rattex,tonka bean camphor,coumarinic anhydride,coumarine,benzo-alpha-pyrone
InChI Key ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Molecular Formula C9H6O2
6

Warfarin, TRC

CAS: 81-81-2 Molecular Formula: C19 H16 O4 Molecular Weight (g/mol): 308.33 Synonym: 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-,Coumarin, 3-(α-acetonylbenzyl)-4-hydroxy- (7CI,8CI),4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one,(RS)-Warfarin,(±)-Warfarin,(±)-Warfarin-alcohol,1-(4'-Hydroxy-3'-coumarinyl)-1-phenyl-3-butanone,3-(1'-Phenyl-2'-acetylethyl)-4-hydroxycoumarin,3-(α-Acetonylbenzyl)-4-hydroxycoumarin,3-(α-Phenyl-β-acetylethyl)-4-hydroxycoumarin,4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one,Athrombine-K,Brumolin,Circuvit,Co-Rax,Compound 42,Coumafen,Coumafene,Coumaphen,Coumefene,DL-3-(α-Acetonylbenzyl)-4-hydroxycoumarin,Dethmor,Kumader,Kumadu,Kumatox,Martefarin,NSC 59813,Ratron,Ratron G,Rodafarin,Rodafarin C,Rodex,Temus W,Vampirinip II,Vampirinip III,W.A.R.F. 42,WARF compound 42,Warf 5,Warfarin,Warfarin acid,Zoocoumarin,rac-Warfarin IUPAC Name: 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one SMILES: CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3

CAS 81-81-2
Molecular Weight (g/mol) 308.33
SMILES CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccccc3
Synonym 2H-1-Benzopyran-2-one, 4-hydroxy-3-(3-oxo-1-phenylbutyl)-,Coumarin, 3-(α-acetonylbenzyl)-4-hydroxy- (7CI,8CI),4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one,(RS)-Warfarin,(±)-Warfarin,(±)-Warfarin-alcohol,1-(4'-Hydroxy-3'-coumarinyl)-1-phenyl-3-butanone,3-(1'-Phenyl-2'-acetylethyl)-4-hydroxycoumarin,3-(α-Acetonylbenzyl)-4-hydroxycoumarin,3-(α-Phenyl-β-acetylethyl)-4-hydroxycoumarin,4-Hydroxy-3-(3-oxo-1-phenylbutyl)-2H-chromen-2-one,Athrombine-K,Brumolin,Circuvit,Co-Rax,Compound 42,Coumafen,Coumafene,Coumaphen,Coumefene,DL-3-(α-Acetonylbenzyl)-4-hydroxycoumarin,Dethmor,Kumader,Kumadu,Kumatox,Martefarin,NSC 59813,Ratron,Ratron G,Rodafarin,Rodafarin C,Rodex,Temus W,Vampirinip II,Vampirinip III,W.A.R.F. 42,WARF compound 42,Warf 5,Warfarin,Warfarin acid,Zoocoumarin,rac-Warfarin
IUPAC Name 4-hydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
Molecular Formula C19 H16 O4
7

Coumatetralyl, TRC

CAS: 5836-29-3 Molecular Formula: C19 H16 O3 Molecular Weight (g/mol): 292.33 IUPAC Name: 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one SMILES: OC1=C(C2CCCc3ccccc23)C(=O)Oc4ccccc14

CAS 5836-29-3
Molecular Weight (g/mol) 292.33
SMILES OC1=C(C2CCCc3ccccc23)C(=O)Oc4ccccc14
IUPAC Name 4-hydroxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)chromen-2-one
Molecular Formula C19 H16 O3
8

Urolithin B, TRC

CAS: 1139-83-9 Molecular Formula: C13H8O3 Molecular Weight (g/mol): 212.2 Synonym: 3-Hydroxy-6H-dibenzo[b,d]pyran-6-one,2',4'-Dihydroxy-2-biphenylcarboxylic Acid δ-Lactone,3-Hydroxy-6H-benzo[c]chromen-6-one,3-Hydroxydibenzo-α-pyrone,3-Hydroxyurolithin,7-Hydroxy-3,4-benzocoumarin,NSC 94726 SMILES: Oc1ccc2c(OC(=O)c3ccccc23)c1

CAS 1139-83-9
Molecular Weight (g/mol) 212.2
SMILES Oc1ccc2c(OC(=O)c3ccccc23)c1
Synonym 3-Hydroxy-6H-dibenzo[b,d]pyran-6-one,2',4'-Dihydroxy-2-biphenylcarboxylic Acid δ-Lactone,3-Hydroxy-6H-benzo[c]chromen-6-one,3-Hydroxydibenzo-α-pyrone,3-Hydroxyurolithin,7-Hydroxy-3,4-benzocoumarin,NSC 94726
Molecular Formula C13H8O3
9

3’-Hydroxy Warfarin, TRC

CAS: 30992-81-5 Molecular Formula: C19 H16 O5 Molecular Weight (g/mol): 324.33 Synonym: 4-Hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-2H-1-benzopyran-2-one,3-(α-Acetonyl-m-hydroxybenzyl)-4-hydroxycoumarin IUPAC Name: 4-hydroxy-3-[1-(3-hydroxyphenyl)-3-oxo-butyl]chromen-2-one SMILES: CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3cccc(O)c3

CAS 30992-81-5
Molecular Weight (g/mol) 324.33
SMILES CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3cccc(O)c3
Synonym 4-Hydroxy-3-[1-(3-hydroxyphenyl)-3-oxobutyl]-2H-1-benzopyran-2-one,3-(α-Acetonyl-m-hydroxybenzyl)-4-hydroxycoumarin
IUPAC Name 4-hydroxy-3-[1-(3-hydroxyphenyl)-3-oxo-butyl]chromen-2-one
Molecular Formula C19 H16 O5
10

6-Hydroxy Warfarin, TRC

CAS: 17834-02-5 Molecular Formula: C19 H16 O5 Molecular Weight (g/mol): 324.33 Synonym: 2H-1-Benzopyran-2-one, 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)-,Coumarin, 3-(α-acetonylbenzyl)-4,6-dihydroxy- (8CI),6-Hydroxywarfarin IUPAC Name: 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one SMILES: CC(=O)CC(C1=C(O)c2cc(O)ccc2OC1=O)c3ccccc3

CAS 17834-02-5
Molecular Weight (g/mol) 324.33
SMILES CC(=O)CC(C1=C(O)c2cc(O)ccc2OC1=O)c3ccccc3
Synonym 2H-1-Benzopyran-2-one, 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)-,Coumarin, 3-(α-acetonylbenzyl)-4,6-dihydroxy- (8CI),6-Hydroxywarfarin
IUPAC Name 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
Molecular Formula C19 H16 O5
11

Urolithin A, TRC

CAS: 1143-70-0 Molecular Formula: C13 H8 O4 Molecular Weight (g/mol): 228.2 Synonym: 6H-Dibenzo[b,d]pyran-6-one, 3,8-dihydroxy- (9CI, ACI),2-Biphenylcarboxylic acid, 2',4,4'-trihydroxy-, δ-lactone (7CI, 8CI),3,8-Dihydroxy-6H-dibenzo[b,d]pyran-6-one (ACI),2',7-Dihydroxy-3,4-benzocoumarin,3,8-Dihydroxybenzo[c]chromen-6-one,3,8-Dihydroxyurolithin,3,8-Hydroxydibenzo-α-pyrone,Urolithin A IUPAC Name: 3,8-dihydroxybenzo[c]chromen-6-one SMILES: Oc1ccc2c(OC(=O)c3cc(O)ccc23)c1

CAS 1143-70-0
Molecular Weight (g/mol) 228.2
SMILES Oc1ccc2c(OC(=O)c3cc(O)ccc23)c1
Synonym 6H-Dibenzo[b,d]pyran-6-one, 3,8-dihydroxy- (9CI, ACI),2-Biphenylcarboxylic acid, 2',4,4'-trihydroxy-, δ-lactone (7CI, 8CI),3,8-Dihydroxy-6H-dibenzo[b,d]pyran-6-one (ACI),2',7-Dihydroxy-3,4-benzocoumarin,3,8-Dihydroxybenzo[c]chromen-6-one,3,8-Dihydroxyurolithin,3,8-Hydroxydibenzo-α-pyrone,Urolithin A
IUPAC Name 3,8-dihydroxybenzo[c]chromen-6-one
Molecular Formula C13 H8 O4
12

7-Hydroxy Warfarin, TRC

CAS: 17834-03-6 Molecular Formula: C19 H16 O5 Molecular Weight (g/mol): 324.33 Synonym: 2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)-,Coumarin, 3-(α-acetonylbenzyl)-4,7-dihydroxy- (8CI),4,7-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one,7-Hydroxywarfarin IUPAC Name: 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one SMILES: CC(=O)CC(C1=C(O)c2ccc(O)cc2OC1=O)c3ccccc3

CAS 17834-03-6
Molecular Weight (g/mol) 324.33
SMILES CC(=O)CC(C1=C(O)c2ccc(O)cc2OC1=O)c3ccccc3
Synonym 2H-1-Benzopyran-2-one, 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)-,Coumarin, 3-(α-acetonylbenzyl)-4,7-dihydroxy- (8CI),4,7-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one,7-Hydroxywarfarin
IUPAC Name 4,7-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
Molecular Formula C19 H16 O5
13

8-Hydroxy Warfarin, TRC

CAS: 17834-04-7 Molecular Formula: C19 H16 O5 Molecular Weight (g/mol): 324.33 Synonym: 2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)-,Coumarin, 3-(α-acetonylbenzyl)-4,8-dihydroxy- (8CI),8-Hydroxywarfarin,4,8-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one,8-Hydroxy warfarin IUPAC Name: 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one SMILES: CC(=O)CC(C1=C(O)c2cccc(O)c2OC1=O)c3ccccc3

CAS 17834-04-7
Molecular Weight (g/mol) 324.33
SMILES CC(=O)CC(C1=C(O)c2cccc(O)c2OC1=O)c3ccccc3
Synonym 2H-1-Benzopyran-2-one, 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)-,Coumarin, 3-(α-acetonylbenzyl)-4,8-dihydroxy- (8CI),8-Hydroxywarfarin,4,8-Dihydroxy-3-(3-oxo-1-phenylbutyl)-2H-1-benzopyran-2-one,8-Hydroxy warfarin
IUPAC Name 4,8-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
Molecular Formula C19 H16 O5
14

4’-Hydroxy Warfarin, TRC

CAS: 24579-14-4 Molecular Formula: C19 H16 O5 Molecular Weight (g/mol): 324.33 Synonym: 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-,Coumarin, 3-(α-acetonyl-p-hydroxybenzyl)-4-hydroxy- (8CI),4-Hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-2H-1-benzopyran-2-one,4'-Hydroxy warfarin,4'-Hydroxywarfarin IUPAC Name: 4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]chromen-2-one SMILES: CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccc(O)cc3

CAS 24579-14-4
Molecular Weight (g/mol) 324.33
SMILES CC(=O)CC(C1=C(O)c2ccccc2OC1=O)c3ccc(O)cc3
Synonym 2H-1-Benzopyran-2-one, 4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-,Coumarin, 3-(α-acetonyl-p-hydroxybenzyl)-4-hydroxy- (8CI),4-Hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]-2H-1-benzopyran-2-one,4'-Hydroxy warfarin,4'-Hydroxywarfarin
IUPAC Name 4-hydroxy-3-[1-(4-hydroxyphenyl)-3-oxobutyl]chromen-2-one
Molecular Formula C19 H16 O5
15

Novobiocin, TRC

CAS: 303-81-1 Molecular Formula: C31 H36 N2 O11 Molecular Weight (g/mol): 612.62 Synonym: Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)-,Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl)- (9CI),Coumarin, 7-[4-(carbamoyloxy)tetrahydro-3-hydroxy-5-methoxy-6,6-dimethylpyran-2-yloxy]-4-hydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)benzamido]-8-methyl- (6CI),Novobiocin (8CI),Albamix,Albamycin,Antibiotic PA-93,Cardelmycin,Cathocin,Cathomycin,Crystallinic acid,Inamycin,Novo-R,PA 93,Robiocina,Sirbiocina,Spheromycin,Stilbiocina,Streptonivicin,U 6391 IUPAC Name: [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate SMILES: CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C

CAS 303-81-1
Molecular Weight (g/mol) 612.62
SMILES CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C
Synonym Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-buten-1-yl)-,Benzamide, N-[7-[[3-O-(aminocarbonyl)-6-deoxy-5-C-methyl-4-O-methyl-α-L-lyxo-hexopyranosyl]oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl]-4-hydroxy-3-(3-methyl-2-butenyl)- (9CI),Coumarin, 7-[4-(carbamoyloxy)tetrahydro-3-hydroxy-5-methoxy-6,6-dimethylpyran-2-yloxy]-4-hydroxy-3-[4-hydroxy-3-(3-methyl-2-butenyl)benzamido]-8-methyl- (6CI),Novobiocin (8CI),Albamix,Albamycin,Antibiotic PA-93,Cardelmycin,Cathocin,Cathomycin,Crystallinic acid,Inamycin,Novo-R,PA 93,Robiocina,Sirbiocina,Spheromycin,Stilbiocina,Streptonivicin,U 6391
IUPAC Name [(3R,4S,5R,6R)-5-hydroxy-6-[4-hydroxy-3-[[4-hydroxy-3-(3-methylbut-2-enyl)benzoyl]amino]-8-methyl-2-oxochromen-7-yl]oxy-3-methoxy-2,2-dimethyloxan-4-yl] carbamate
Molecular Formula C31 H36 N2 O11