sulfolithocholic acid

Molecular Formula: C24H40O6S


InChI: InChI=1/C24H40O6S/c1-15(4-9-22(25)26)19-7-8-20-18-6-5-16-14-17(30-31(27,28)29)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21H,4-14H2,1-3H3,(H,25,26)(H,27,28,29)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1/f/h25,27H

InChIKey: InChIKey=AXDXVEYHEODSPN-AOTAMQMSDH
SMILES: [H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@@]34[H])[C@H](C)CCC(O)=O)[C@@]1(C)CC[C@H](C2)OS(O)(=O)=O

Names:
    lithocholic acid sulfate
    lithocholic acid 3-sulfate
    sulfolithocholic acid
    (3α,5β)-3-(sulfooxy)cholan-24-oic acid
    (4R)-4-[(3R,5R,8S,9S,10S,13R,14S,17R)-10,13-dimethyl-3-sulfooxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Registries:
    PubChem CID 451489
    ChEBI 35421
    PubChem ID 10300699