sodium desoxycholate

Molecular Formula: C24H39NaO4


InChI: InChI=1/C24H40O4.Na/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;+1/p-1/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m1./s1/fC24H39O4.Na/q-1;m

InChIKey: InChIKey=FHHPUSMSKHSNKW-QBGIFREQDT
SMILES: [Na+].[H][[email protected]]12CC[[email protected]@]3([H])[[email protected]]4([H])CC[[email protected]]([H])([[email protected]](C)CCC([O-])=O)[[email protected]@]4(C)[[email protected]@H](O)C[[email protected]]3([H])[[email protected]@]1(C)CC[[email protected]@H](O)C2

CAS number 302-95-4

Names:
    deoxycholate sodium
    deoxycholic acid sodium salt
    desoxycholate sodium
    Sodium deoxycholate
    sodium deoxycholate
    sodium desoxycholate
    sodium (4R)-4-[(3R,5R,8S,9S,10S,12S,13R,14S,17R)-3,12-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]pentanoate
    sodium 7-deoxycholate

Registries:
    PubChem CID 91448
    Beilstein =3643164
    CAS 302-95-4 (from NIST)
    ChEBI 9177
    Gmelin 1775786
    Kegg C11171
    PubChem ID 10224801
    PubChem ID 13353