CAS: 14772-99-7 - methyl 7α,12α-dihydroxy-3-oxo-5β-cholan-24-oate

Formula: C₂₅H₄₀O₅

InChI: InChI=1S/C25H40O5/c1-14(5-8-22(29)30-4)17-6-7-18-23-19(13-21(28)25(17,18)3)24(2)10-9-16(26)11-15(24)12-20(23)27/h14-15,17-21,23,27-28H,5-13H2,1-4H3/t14-,15+,17-,18+,19+,20-,21+,23+,24+,25-/m1/s1

InChI key: InChIKey=CIZOGAIBGCZRCL-PXOOZVEKSA-N

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

Synonyms:

• 5β-Cholan-24-oic acid, 7α,12α-dihydroxy-3-oxo-, methyl ester
• 5β-Cholanic acid, 7α,12α-dihydroxy-3-oxo-, methyl ester
• 7α,12α-Dihydroxy-3-oxo-5β-cholanic acid methyl ester
• Cholan-24-oic acid, 7,12-dihydroxy-3-oxo-, methyl ester, (5β,7α,12α)-
• Methyl (5Beta,7Alpha,8Xi,9Xi,10Xi,12Alpha,13Xi,14Xi,17Xi,20Xi)-7,12-Dihydroxy-3-Oxocholan-24-Oate
• Methyl (5β,7α,12α)-7,12-dihydroxy-3-oxocholan-24-oate
• Methyl 3-keto-7α,12α-dihydroxy-5β-cholanoate
• Methyl 3-oxoisodeoxycholate
• Methyl 7,12-Dihydroxy-3-Oxocholan-24-Oate
• Methyl 7alpha,12alpha-dihydroxy-3-oxo-5beta-cholan-24-oate

Cholic Acid Impurity 31

CAS: 14772-99-7

• Formula: C₂₅H₄₀O₅
• Color and Shape: White To Off-White Solid
• Molecular weight: 420.59

Methyl 3-Keto-7α,12α-dihydroxy-5β-cholanoate

CAS: 14772-99-7

• Formula: C₂₅H₄₀O₅
• Color and Shape: Neat
• Molecular weight: 420.58

Methyl-3-ketocholate

CAS: 14772-99-7

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• Formula: C₂₅H₄₀O₅
• Purity: Min. 95%
• Molecular weight: 420.6 g/mol