3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid

Molecular Formula: C24H40O5


InChI: InChI=1/C24H40O5/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/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,20-,22+,23+,24-/m1/s1/f/h28H

InChIKey: InChIKey=BHQCQFFYRZLCQQ-JSXISBONDH
SMILES: [H][C@@]12C[C@H](O)CC[C@]1(C)[C@@]3([H])C[C@@H](O)[C@]4(C)[C@]([H])(CC[C@@]4([H])[C@]3([H])[C@H](O)C2)[C@H](C)CCC(O)=O

Names:
    (4R)-4-[(3R,5S,7R,8S,9S,10S,12R,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate
    3alpha,7alpha,12beta-Trihydroxy-5beta-cholanic acid
    3alpha,7alpha,12beta-trihydroxy-5beta-cholanic acid

Registries:
    PubChem CID 5283869
    ChEBI 36240
    Kegg C04661
    PubChem ID 11039124