Scopadulin

Molecular Formula: C₂₇H₃₆O₅

InChI: InChI=1/C27H36O5/c1-25-11-7-10-20(24(29)31-3)22(25)21(32-23(28)17-8-5-4-6-9-17)15-18-14-19-16-27(18,25)13-12-26(19,2)30/h4-6,8-9,18-22,30H,7,10-16H2,1-3H3/t18-,19-,20-,21-,22+,25+,26-,27u/m1/s1

InChIKey: InChIKey=IFYYILLQBMRJSK-AAZCOYQVBM
SMILES: CC1(CCC23CC1CC2CC(C4C3(CCCC4C(=O)OC)C)OC(=O)C5=CC=CC=C5)O

Names:
    Scopadulin
    (4alpha,5alpha,6beta,17alpha)-6-(Benzoyloxy)-17-hydroxy-4,17-dimethyl-9,15-cyclo-C,18-dinor-14,15-secoandrostane-4-carboxylic acid
    129058-58-8
    9,15-Cyclo-C,18-dinor-14,15-secoandrostane-4-carboxylic acid, 6-(benzoyloxy)-17-hydroxy-4,17-dimethyl-, (4alpha,5alpha,6beta,17alpha)-

Registries:
    PubChem CID 3034050
    PubChem ID 214540