Description
IUPAC Name: [16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate
InChI: InChI=1S/C28H38O7/c1-16(29)34-20-9-11-26(3)19(13-20)6-7-22-21(26)10-12-27(4)25(18-5-8-24(31)33-15-18)23(35-17(2)30)14-28(22,27)32/h5,8,15,19-23,25,32H,6-7,9-14H2,1-4H3
InChIKey: NHHVQEFHQTULER-UHFFFAOYSA-N
Canonical SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CC(C4C5=COC(=O)C=C5)OC(=O)C)O)C)C
Isomeric SMILES: CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C3(CC(C4C5=COC(=O)C=C5)OC(=O)C)O)C)C
Synonyms: 4029-69-0; 3,16-bis(acetyloxy)-14-hydroxybufa-20,22-dienolide; [16-acetyloxy-14-hydroxy-10,13-dimethyl-17-(6-oxopyran-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate; NSC135689; DTXSID90960725; DA-48923; NCI60_000798; PD125035; …
Botanical Source: Bufonis Venenum