5alpha-bufanolide

Molecular Formula: C₂₄H₃₈O₂

InChI: InChI=1/C24H38O2/c1-23-13-4-3-5-17(23)7-8-18-20-10-9-19(16-6-11-22(25)26-15-16)24(20,2)14-12-21(18)23/h16-21H,3-15H2,1-2H3/t16-,17+,18-,19+,20+,21-,23-,24+/m0/s1

InChIKey: InChIKey=PXOHOSHERMSUCD-SIEHIEJTBD
SMILES: [H][[email protected]@]1(CCC(=O)OC1)[[email protected]@]2([H])CC[[email protected]]3([H])[[email protected]]4([H])CC[[email protected]@]5([H])CCCC[[email protected]]5(C)[[email protected]@]4([H])CC[[email protected]]23C

Names:
    CHEBI:35540
    (5S)-5-[(5R,8S,9S,10S,13R,14R,17R)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]oxan-2-one
    5alpha-bufanolide

Registries:
    PubChem CID 6857516
    ChEBI 35540
    PubChem ID 11533628