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CAS 129012-50-6

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(3α,4β,5β,12α)-3,4,12-Trihydroxycholan-24-oic acid

Description:
The chemical substance known as (3α,4β,5β,12α)-3,4,12-Trihydroxycholan-24-oic acid, with the CAS number 129012-50-6, is a bile acid derivative. It features a steroid backbone typical of bile acids, characterized by multiple hydroxyl (-OH) groups at specific positions, which contribute to its hydrophilic properties. This compound is involved in the metabolism of lipids and plays a crucial role in the emulsification and absorption of dietary fats in the intestine. The presence of hydroxyl groups enhances its solubility in water, facilitating its biological functions. Additionally, the specific stereochemistry indicated by the nomenclature suggests that it has distinct spatial arrangements that can influence its interaction with biological receptors and enzymes. This compound may also exhibit potential therapeutic properties, particularly in the context of metabolic disorders or liver function, although further research would be necessary to fully elucidate its biological activities and applications.
Formula:C24H40O5
InChI:InChI=1S/C24H40O5/c1-13(4-9-21(27)28)15-7-8-16-14-5-6-17-22(29)19(25)10-11-23(17,2)18(14)12-20(26)24(15,16)3/h13-20,22,25-26,29H,4-12H2,1-3H3,(H,27,28)/t13-,14+,15-,16+,17-,18+,19-,20+,22-,23+,24-/m1/s1
InChI key:InChIKey=FRYVQXCDSBCDAU-AKDOOQIZSA-N
SMILES:C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)([C@@H](O)[C@H](O)CC4)[H])(C[C@@H]1O)[H])[H])(CC[C@@]2([C@@H](CCC(O)=O)C)[H])[H]
Synonyms:
  • (3alpha,4beta,5beta,12alpha)-3,4,12-trihydroxycholan-24-oic acid
  • 3a,4b,12a-Trihydroxy-5b-cholanoic acid
  • (3α,4β,5β,12α)-3,4,12-Trihydroxycholan-24-oic acid
  • Cholan-24-oic acid, 3,4,12-trihydroxy-, (3α,4β,5β,12α)-
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