CAS: 2458-08-4 - 12-Ketochenodeoxycholic acid

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: 406.57

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