Isodeoxycholic acid

For research use only. Not for therapeutic Use.

  • CAT Number: I040646
  • CAS Number: 566-17-6
  • Molecular Formula: C24H40O4
  • Molecular Weight: 392.57
  • Purity: ≥95%
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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.
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