CAS 84413-82-1

(5β,7α,12β)-7,12-Dihydroxycholan-24-oic acid

Description:

(5β,7α,12β)-7,12-Dihydroxycholan-24-oic acid, commonly known as a bile acid derivative, is a steroid compound characterized by its specific hydroxyl group placements at the 7 and 12 positions on the cholane backbone. This compound is part of the larger family of bile acids, which play crucial roles in the digestion and absorption of dietary fats and fat-soluble vitamins in the intestine. Its structure includes a steroid nucleus, which is typical for bile acids, and a carboxylic acid functional group at the 24th carbon, contributing to its amphipathic nature. This amphipathicity allows it to interact with both lipophilic and hydrophilic environments, facilitating the emulsification of fats. The presence of hydroxyl groups enhances its solubility in water, making it effective in forming micelles. Additionally, bile acids like this compound are involved in various physiological processes, including cholesterol metabolism and regulation of lipid homeostasis. Its specific stereochemistry and functional groups influence its biological activity and interactions within the body.

Formula: C₂₄H₄₀O₄

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

InChI key: InChIKey=ZHCAAZIHTDCFJX-CIKBIKKZSA-N

SMILES: C[C@@]12[C@@]3([C@]([C@]4([C@](C)([C@H](O)C3)[C@@]([C@@H](CCC(O)=O)C)(CC4)[H])[H])([C@H](O)C[C@@]1(CCCC2)[H])[H])[H]

Synonyms:

• Cholan-24-oic acid, 7,12-dihydroxy-, (5β,7α,12β)-
• 7α,12β-Dihydroxy-5β-cholanic acid
• 7α,12β-Dihydroxy-5β-cholanoic acid
• (5β,7α,12β)-7,12-Dihydroxycholan-24-oic acid
• 7α,12β-Dihydroxy-5β-cholan-24-oic acid

7α,12β-Dihydroxy-5β-cholanoic Acid

Controlled Product

CAS: 84413-82-1

Formula: C₂₄H₄₀O₄

Color and Shape: Neat

Molecular weight: 392.57

Ref: TR-D447435