CAS 80434-32-8

1β-Hydroxydeoxycholic acid

Description:

1β-Hydroxydeoxycholic acid, also known as 1β-hydroxy-3-oxocholic acid, is a bile acid derivative characterized by its hydroxyl group at the 1β position of the steroid nucleus. This compound is a naturally occurring metabolite in the human body, primarily involved in the emulsification and absorption of dietary fats. It exhibits amphipathic properties, allowing it to interact with both hydrophilic and hydrophobic environments, which is crucial for its role in digestion. The molecular structure includes a steroid backbone with multiple functional groups, contributing to its biological activity. 1β-Hydroxydeoxycholic acid has been studied for its potential therapeutic applications, including its effects on lipid metabolism and its role in modulating cholesterol levels. Additionally, it may have implications in the treatment of certain metabolic disorders. As with many bile acids, its solubility and stability can be influenced by pH and the presence of other ions in solution. Overall, this compound is significant in both physiological processes and potential pharmacological applications.

Formula: C₂₄H₄₀O₅

InChI: InChI=1S/C24H40O5/c1-13(4-9-22(28)29)17-7-8-18-16-6-5-14-10-15(25)11-20(26)23(14,2)19(16)12-21(27)24(17,18)3/h13-21,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15+,16+,17-,18+,19+,20-,21+,23+,24-/m1/s1

InChI key: InChIKey=DAKYVYUAVGJDRK-FPUZENINSA-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])(CC[C@@]1(C[C@H](O)C[C@H]2O)[H])[H])[H]

Synonyms:

• (1β,3α,5β,12α)-1,3,12-Trihydroxycholan-24-oic acid
• 1β,3α,12α-Trihydroxy-5β-cholanoic acid
• 1β-Hydroxydeoxycholic acid
• 1β,3α,12α-Trihydroxy-5β-cholan-24-oic acid
• Cholan-24-oic acid, 1,3,12-trihydroxy-, (1β,3α,5β,12α)-
• Deoxycholic Acid (1R)-Hydroxy Impurity
• Chenodeoxycholic Acid Impurity 13
• 1Β-HYDROXYDEOXYCHOLIC ACID-D4
• Ursodeoxycholic Acid Impurity 31
• 1-β-Hydroxydeoxycholic Acid D5Q: What is
• 1β-Hydroxydeoxycholic Acid-d4 (major)
• 1-β-Hydroxydeoxycholic Acid D5 Q: What is the storage condition of
• 1-β-Hydroxydeoxycholic Acid D5 Q: What is the CAS Number of
• (4R)-4-[(3S,5R,8S,9S,10S,12S,13R,14S)-1,3,12-trihydroxy-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
• 1-β-Hydroxydeoxycholic Acid D5

1β-Hydroxydeoxycholic acid

CAS: 80434-32-8

1β-Hydroxydeoxycholic acid (1β-OH-DCA), recognized as a secondary bile acid, serves as a biomarker for CYP3A. This compound is metabolized from deoxycholic acid specifically by CYP3A4 and CYP3A7 through recombinant human CYP450 enzymes [1].

Formula: C₂₄H₄₀O₅

Color and Shape: Solid

Molecular weight: 408.57

Ref: TM-TN7592

1-β-Hydroxydeoxycholic Acid

CAS: 80434-32-8

Formula: C₂₄H₄₀O₅

Molecular weight: 408.58

Ref: 4Z-C-57106

1β-Hydroxydeoxycholic Acid-d5

Controlled Product

CAS: 80434-32-8

Formula: C₂₄D₅H₃₅O₅

Color and Shape: Neat

Molecular weight: 413.602

Ref: TR-H934882

1β-Hydroxydeoxycholic Acid

Controlled Product

CAS: 80434-32-8

Formula: C₂₄H₄₀O₅

Color and Shape: Neat

Molecular weight: 408.57

Ref: TR-H934880