Sodium Dehydrocholate

Product Specifications

CAS Number

145-41-5

Synonyms

3,7,12-Trioxo-5β-cholan-24-oic acid sodium salt; Dilabil sodium

Hazard Statement

Not a hazardous substance according to GHS.

Purity

>95% (HPLC)

Smiles

[Na+].C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)C[C@H]4CC3=O

Molecular Formula

C24 H33 O5 . Na

Molecular Weight

424.5

InChI

InChI=1S/C24H34O5.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;/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);/q;+1/p-1/t13-,14+,16-,17+,18+,22+,23+,24-;/m1./s1

Additionnal Information

IUPAC name: sodium;(4R)-4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoate