3alpha,7alpha,12beta-trihydroxy-5beta-cholan-24-oate

Molecular Formula: C24H39O5-


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)/p-1/t13-,14+,15-,16-,17+,18+,19-,20-,22+,23+,24-/m1/s1/fC24H39O5/q-1

InChIKey: InChIKey=BHQCQFFYRZLCQQ-HBHZGGKKDZ
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:
    CHEBI:15755
    (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]pentanoate
    3alpha,7alpha,12beta-Trihydroxy-5beta-cholanate
    3alpha,7alpha,12beta-trihydroxy-5beta-cholanate
    3alpha,7alpha,12beta-trihydroxy-5beta-cholan-24-oate

Registries:
    PubChem CID 9548607
    ChEBI 15755
    PubChem ID 8143355