Lactones
Andrographolide, TRC
CAS: 5508-58-7 Molecular Formula: C20 H30 O5 Molecular Weight (g/mol): 350.45 Synonym: 2(3H)-Furanone, 3-[2-[(1R,4aS,5R,6R,8aS)-decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, (3E,4S)-,2(3H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-, [1R-[1α[E(S*)],4aβ,5α,6α,8aα]]-,5β,9βH,10α-Labda-8(20),12-dien-16-oic acid, 3α,14,15,18-tetrahydroxy-, γ-lactone (7CI),Andrographis (6CI),(3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethylidene]dihydro-4-hydroxy-2(3H)-furanone,Andrographiside aglycon,Andrographolid,Andrographolide IUPAC Name: (3E,4S)-3-[2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethylidene]-4-hydroxyoxolan-2-one SMILES: C[C@@]1(CO)[C@H](O)CC[C@@]2(C)[C@H](C\C=C\3/[C@H](O)COC3=O)C(=C)CC[C@H]12
Lovastatin, TRC
CAS: 75330-75-5 Molecular Formula: C24 H36 O5 Molecular Weight (g/mol): 404.54 Synonym: Lovastatin,Simvastatin Imp. E (EP),Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1α(R*),3α,7β,8β(2S*,4S*),8aβ]]-,(+)-Mevinolin,6α-Methylcompactin,Altocor,Altoprev,Antibiotic MB 530B,L 154803,Lestric,Lostatin,Lovacard,Lovalip,Lovastatin,Lovastatin lactone,Lovex,MK 803,MSD 803,Mevacor,Mevinacor,Mevinolin,Mevlor,Monacolin K,Monacolin K lactone,NSC 633781,Sivlor IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Taurultam, TRC
CAS: 38668-01-8 Molecular Formula: C3 H8 N2 O2 S Molecular Weight (g/mol): 136.17 Synonym: Tetrahydro-2H-1,2,4-thiadiazine 1,1-Dioxide,¡1,1-Dioxoperhydro-1,2,4-thiadiazine,Perhydro-1,2,4-thiadiazine 1,1-Dioxide,Tetrahydro-2H-1,2,4-thiadiazine 1,1-Dioxide IUPAC Name: 1,2,4-thiadiazinane 1,1-dioxide SMILES: O=S1(=O)CCNCN1
Tetronic Acid, TRC
CAS: 4971-56-6 Molecular Formula: C4H4O3 Molecular Weight (g/mol): 100.07 Synonym: Furan-2,4-dione IUPAC Name: oxolane-2,4-dione SMILES: O=C1COC(=O)C1
3-Oxotetrahydrofuran, TRC
CAS: 22929-52-8 Molecular Formula: C4 H6 O2 Molecular Weight (g/mol): 86.09 Synonym: 4,5-Dihydro-3(2H)-furanone,Dihydro-3(2H)-furanone,Dihydrofuran-3-one,Oxolan-3-one IUPAC Name: oxolan-3-one SMILES: O=C1CCOC1
Butyrolactone 3, TRC
CAS: 778649-18-6 Molecular Formula: C9 H12 O4 Molecular Weight (g/mol): 184.189 Synonym: (2R,3S)-rel-Tetrahydro-4-methylene-5-oxo-2-propyl-3-furancarboxylic Acid,4-Methylene-5-oxo-2-propyl-tetrahydrofuran-3-carboxylic Acid,3-Furancarboxylic acid, tetrahydro-4-methylene-5-oxo-2-propyl-, (2R,3S)-rel-,rel-(2R,3S)-Tetrahydro-4-methylene-5-oxo-2-propyl-3-furancarboxylic acid,4-Methylene-5-oxo-2-propyl-tetrahydrofuran-3-carboxylic acid,Butyrolactone 3,MB 3 IUPAC Name: (2S,3R)-4-methylene-5-oxo-2-propyl-tetrahydrofuran-3-carboxylic acid SMILES: CCC[C@@H]1OC(=O)C(=C)[C@H]1C(=O)O
Pravastatin Lactone, TRC
CAS: 85956-22-5 Molecular Formula: C23 H34 O6 Molecular Weight (g/mol): 406.51 Synonym: Butanoic acid, 2-methyl-, (1S,3S,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3-hydroxy-7-methyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester, (2S)-,Butanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3-hydroxy-7-methyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1α(R*),3β,7β,8β(2S*,4S*),8aβ]]-,(+)-Pravastatin lactone,Pravastatin lactone,R 414,SQ 31369,(1S,3S,7S,8S,8aR)-3-Hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl (2S)-2-methylbutanoate,Pravastatin Sodium Imp. D (EP) IUPAC Name: [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate SMILES: CC[C@H](C)C(=O)O[C@H]1C[C@H](O)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
Delta-Octanolactone, TRC
CAS: 698-76-0 Molecular Formula: C8 H14 O2 Molecular Weight (g/mol): 142.2 Synonym: Tetrahydro-6-propyl-2H-pyran-2-one,5-Hydroxyoctanoic acid lactone,5-Octanolide,δ-Propyl-δ-valerolactone IUPAC Name: 6-propyltetrahydropyran-2-one SMILES: CCCC1CCCC(=O)O1
(-)-Corey Lactone Diol, TRC
CAS: 32233-40-2 Molecular Formula: C8H12O4 Molecular Weight (g/mol): 172.18 Synonym: (3aR,4S,5R,6aS)Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one,[3aR-(3aalpha,4alpha,5beta,6aalpha)]Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one IUPAC Name: (3aR,4S,5R,6aS)-5-hydroxy-4-(hydroxymethyl)-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one SMILES: OC[C@H]1[C@H](O)C[C@@H]2OC(=O)C[C@H]12
rac-gamma-Nonanolactone, TRC
CAS: 104-61-0 Molecular Formula: C9 H16 O2 Molecular Weight (g/mol): 156.22 Synonym: 4-Nonanolide,4-Pentyl-butanolide,γ-Amylbutyrolactone,γ-Nonanolide,Aldehyde C-18,Apricolin,Cocos aldehyde,Dihydro-5-pentyl-2(3H)-furanone,Prunolide IUPAC Name: 5-pentyloxolan-2-one SMILES: CCCCCC1CCC(=O)O1
2'-Ethyl Simvastatin, TRC
CAS: 79902-42-4 Molecular Formula: C23 H34 O5 Molecular Weight (g/mol): 390.51 Synonym: Propanoic acid, 2-methyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester,Propanoic acid, 2-methyl-, 1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl]-1-naphthalenyl ester, [1S-[1α,3α,7β,8β(2S*,4S*),8aβ]]- (9CI),2'-Ethyl Simvastatin,[(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-Hydroxy-6-oxo-tetrahydropyran-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylpropanoate,(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-Hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylpropanoate,2'-Desethyl Simvastatin,Simvastatin Impurity I (EP) IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2-methylpropanoate SMILES: CC(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
(±)-Paraconic Acid, TRC
CAS: 498-89-5 Molecular Formula: C5H6O4 Molecular Weight (g/mol): 130.1 Synonym: Tetrahydro-5-oxo-3-furoic Acid,(Hydroxymethyl)succinic Acid gamma-Lactone,Tetrahydro-5-oxo-3-furancarboxylic Acid,5-Oxotetrahydro-3-furancarboxylic Acid,(Hydroxymethyl)butanedioic Acid gamma-Lactone,Paraconic Acid,Pilosinic Acid,Tarconic Acid IUPAC Name: 5-oxooxolane-3-carboxylic acid SMILES: OC(=O)C1COC(=O)C1
Simvastatin 4’-Methyl Ether, TRC
CAS: 864357-88-0 Molecular Formula: C26 H40 O5 Molecular Weight (g/mol): 432.59 Synonym: Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-methoxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester,(1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-Hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-methoxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl 2,2-dimethylbutanoate,(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-Methoxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate IUPAC Name: [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-methoxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate SMILES: CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)O3)OC)[C@@H]12
D-Glucurono-3,6-lactone, TRC
CAS: 32449-92-6 Molecular Formula: C6 H8 O6 Molecular Weight (g/mol): 176.12 Synonym: D-Glucuronolactone,D-Glucuronic acid, γ-lactone,Glucuronic acid, γ-lactone, D- (6CI,8CI),D-Glucofuranurono-6,3-lactone,D-Glucuronic acid lactone,D-Glucuronic acid γ-lactone,D-Glucurono-3,6-lactone,D-Glucurono-6,3-lactone,D-Glucurono-γ-lactone,D-Glucuronolactone,Dicurone,Glucoxy,Glucurolactone,Glucurone,Glucuronic acid γ-lactone,Glucurono-6,3-lactone,Glucuronolactone,Glucuronosan,Glycurone,Guronsan,NSC 656,Reulatt S.S. IUPAC Name: (2R)-2-[(2S,3R,4S)-3,4-dihydroxy-5-oxooxolan-2-yl]-2-hydroxyacetaldehyde SMILES: O[C@@H](C=O)[C@H]1OC(=O)[C@@H](O)[C@H]1O