gallodesoxycholic acid

[1. A major bile acid in many vertebrates, usually conjugated with glycine or taurine; it facilitates cholesterol excretion and fat absorption; administered to dissolve cholesterol gallstones.

Molecular Formula: C₂₄H₄₀O₄

InChI: InChI=1/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/f/h27H

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

CAS number 474-25-9

Names:
    anthropodeoxycholic acid
    anthropodesoxycholic acid
    chenic acid
    Chenix
    Chenodeoxycholate
    Chenodeoxycholic acid
    chenodeoxycholic acid
    Chenodiol
    gallodesoxycholic acid
    Prestwick1_000285
    (4R)-4-[(3R,5S,7R,8S,9S,10S,13R,14S,17R)-3,7-dihydroxy-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-Dihydroxy-5beta-cholanic acid
    7-alpha-Hydroxylithocholic acid

Registries:
    PubChem CID 10133
    Beilstein =3219887
    CAS 474-25-9 (from NIST)
    ChEBI 16755
    Kegg C02528
    Kegg D00163
    PubChem ID 11467433
    PubChem ID 5536