sodium cholate

Sodium Cholate A trihydroxy bile salt that is used as a digestive aid in dietary supplements. It is used in culture media and in conjunction with PAPAIN and PANCREATIN.

Molecular Formula: C₂₄H₃₉NaO₅

InChI: InChI=1/C24H40O5.Na/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);/q;+1/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-;/m1./s1/fC24H39O5.Na/q-1;m

InChIKey: InChIKey=NRHMKIHPTBHXPF-SCUBABJUDU
SMILES: [Na+].[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

CAS number 361-09-1

Names:
    cholic acid, monosodium salt
    SODIUM CHOLATE
    sodium cholate
    sodium (4R)-4-[(3R,5S,7R,8S,9S,10S,12S,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
    361-09-1

Registries:
    PubChem CID 2734989
    Beilstein =4289807
    CAS 361-09-1 (from NIST)
    ChEBI 26711
    PubChem ID 11076641