CAS 2458-08-4: 12-Ketochenodeoxycholic acid

Description: 12-Ketochenodeoxycholic acid, with the CAS number 2458-08-4, is a bile acid derivative that plays a significant role in lipid metabolism and digestion. It is characterized by its keto group at the 12-position of the steroid nucleus, which distinguishes it from its parent compound, chenodeoxycholic acid. This compound is typically found in the bile of various species and is involved in the emulsification and absorption of dietary fats. Its structure includes a hydrophobic steroid backbone with hydroxyl groups that contribute to its amphipathic nature, allowing it to interact with both lipids and water. 12-Ketochenodeoxycholic acid has been studied for its potential therapeutic applications, particularly in the context of metabolic disorders and liver function. Additionally, it may influence cholesterol metabolism and has been investigated for its role in various biological processes, including signaling pathways. Overall, this compound is an important player in the complex biochemistry of bile acids and their physiological functions.

Formula: C₂₄H₃₈O₅

InChI: InChI=1S/C24H38O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-19,22,25-26H,4-12H2,1-3H3,(H,28,29)/t13-,14+,15-,16-,17+,18+,19-,22+,23+,24-/m1/s1

InChI key: InChIKey=MIHNUBCEFJLAGN-DMMBONCOSA-N

SMILES: O=C(O)CCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(=O)C12C

Synonyms:

• (3Alpha,5Beta,7Alpha)-3,7-Dihydroxy-12-Oxocholan-24-Oic Acid
• (3α,5β,7α)-3,7-Dihydroxy-12-oxocholan-24-oic acid
• 12-Keto-3α,7α-dihydroxy-5β-cholanic acid
• 12-Ketochenodeoxycholic acid
• 12-Ketocholic acid
• 12-Oxo-3α,7α-dihydroxy-5β-cholan-24-oic acid
• 12-Oxochenodeoxycholic acid
• 12-Oxocholic acid
• 12-keto-Chenodeoxycholic acid
• 3,7-Dihydroxy-12-oxocholanoic acid
• 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholan-24-oic acid
• 3α,7α-Dihydroxy-12-keto-5β-cholanic acid
• 3α,7α-Dihydroxy-12-ketocholanic acid
• 3α,7α-Dihydroxy-12-ketocholic acid
• 3α,7α-Dihydroxy-12-oxo-5β-cholanic acid
• 3α,7α-Dihydroxy-12-oxo-5β-cholanoic acid
• 3α,7α-Dihydroxy-12-oxocholic acid
• 5β-Cholan-24-oic acid, 3α,7α-dihydroxy-12-oxo-
• 5β-Cholanic acid, 3α,7α-dihydroxy-12-oxo-
• 5β-Cholanic acid-3α,7α-diol-12-one
• Cholan-24-oic acid, 3,7-dihydroxy-12-oxo-, (3 alpha,5 beta,7 alpha)-
• Cholan-24-oic acid, 3,7-dihydroxy-12-oxo-, (3α,5β,7α)-

Chenodeoxycholic Acid EP Impurity H (12-Oxochenodeoxycholic Acid)

CAS: 2458-08-4

• Formula: C₂₄H₃₈O₅
• Molecular weight: 406.56

12-keto-Chenodeoxycholic Acid

CAS: 2458-08-4

• Formula: C24H38O5
• Purity: >99%
• Color and Shape: Solid
• Molecular weight: 406.56

(3a,5b,7a)-3,7-Dihydroxy-12-oxo-cholan-24-oic acid

CAS: 2458-08-4

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• Formula: C₂₄H₃₈O₅
• Purity: Min. 95%
• Molecular weight: 406.6 g/mol