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Bruceantin, TRC
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Quantity:
10 mg
Unit Size:
10mg
Specifications
Specifications
| Chemical Name or Material | Bruceantin |
| CAS | 41451-75-6 |
| Molecular Formula | C28H36O11 |
| Quantity | 10 mg |
| Synonym | [11β,12α,15β(E)]-15-[(3,4-Dimethyl-1-oxo-2-pentenyl)oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxoPicras-3-en-21-oic Acid Methyl Ester, (11β,12α,15β)-15-[[(2E)-3,4-Dimethyl-1-oxo-2-pentenyl]oxy]-13,20-epoxy-3,11,12-trihydroxy-2,16-dioxo-picras-3-en-21-oic Acid Methyl Ester, 2H-3,11c-(Epoxymethano)phenanthro[10,1-bc]pyran, picras-3-en-21-oic Acid deriv., (-)-Bruceantin, Bruceantin, NCI 165563, NSC 165563 |
| InChI Formula | InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1 |
| SMILES | OC(=O)CNC(=O)[C@H](CSCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)NC(=O)CC[C@H](N)C(O)=O |
| IUPAC Name | methyl (1R,2S,3R,6R,8R,13S,14R,15R,16S,17S)-3-[(E)-3,4-dimethylpent-2-enoyl]oxy-10,15,16-trihydroxy-9,13-dimethyl-4,11-dioxo-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate |
| Molecular Weight (g/mol) | 548.58 |
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