3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid

Molecular Formula: C₂₄H₃₈O₅

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/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1/f/h28H

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

CAS number 2458-08-4

Names:
    (3α,5β,7α)-3,7-dihydroxy-12-oxocholan-24-oic acid
    (4R)-4-[(3R,5S,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
    3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanate
    3alpha,7alpha-dihydroxy-12-oxo-5beta-cholanic acid
    3,7-dihydroxy-12-oxocholanoic acid

Registries:
    PubChem CID 94235
    Beilstein =3224670
    CAS 2458-08-4 (from NIST)
    ChEBI 16312
    Kegg C01292
    PubChem ID 10226389
    PubChem ID 4511