For research use only. Not for therapeutic Use.
Isodeoxycholic acid (7α,12α-Dihydroxycholanoic acid) is the 3β-epimer of ursodeoxycholic acid. Isodeoxycholic acid has the effect on choleresis and liver biochemistry[1].
Catalog Number | I040646 |
CAS Number | 566-17-6 |
Synonyms | (4R)-4-[(5S,7R,8R,9S,10S,12S,13R,14S,17R)-7,12-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]pentanoic acid |
Molecular Formula | C24H40O4 |
Purity | ≥95% |
InChI | InChI=1S/C24H40O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1 |
InChIKey | ZHCAAZIHTDCFJX-QLEQUTGBSA-N |
SMILES | CC(CCC(=O)O)C1CCC2C1(C(CC3C2C(CC4C3(CCCC4)C)O)O)C |
Reference | [1]. Marschall HU, et al. Isoursodeoxycholic acid: metabolism and therapeutic effects in primary biliary cirrhosis. J Lipid Res. 2001 May;42(5):735-42. |