CAS: 2304-92-9 - (5β,12α)-12-Hydroxy-3,7-dioxocholan-24-oic acid

Formula: C₂₄H₃₆O₅

InChI: InChI=1S/C24H36O5/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/h13-14,16-18,20,22,27H,4-12H2,1-3H3,(H,28,29)/t13-,14+,16-,17+,18+,20+,22+,23+,24-/m1/s1

InChI key: InChIKey=NCQLOJDAPOEYJA-RFOIBLAWSA-N

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

Synonyms:

• Cholan-24-oic acid, 12-hydroxy-3,7-dioxo-, (5β,12α)-
• 5β-Cholanic acid, 12α-hydroxy-3,7-dioxo-
• (5β,12α)-12-Hydroxy-3,7-dioxocholan-24-oic acid
• 5β-Cholan-24-oic acid, 12α-hydroxy-3,7-dioxo-

Cholic Acid Impurity 28

CAS: 2304-92-9

• Formula: C₂₄H₃₆O₅
• Molecular weight: 404.55