3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oate

Molecular Formula: C₂₄H₃₇O₅^-

InChI: InChI=1/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,20+,22+,23+,24-/m1/s1/fC24H37O5/q-1

InChIKey: InChIKey=RHCPKKNRWFXMAT-HYQKHNTBDJ
SMILES: [H][[email protected]@]12C[[email protected]](O)CC[[email protected]]1(C)[[email protected]@]3([H])C[[email protected]](O)[[email protected]]4(C)[[email protected]]([H])(CC[[email protected]@]4([H])[[email protected]]3([H])C(=O)C2)[[email protected]](C)CCC([O-])=O

Names:
    CHEBI:11893
    (4R)-4-[(3R,5S,8S,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate
    3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholanate
    3alpha,12alpha-dihydroxy-7-oxo-5beta-cholanate
    3alpha,12alpha-dihydroxy-7-oxo-5beta-cholan-24-oate

Registries:
    PubChem CID 9548790
    ChEBI 11893
    PubChem ID 14718169