(5beta)-3,7-Dioxo-Cholan-24-Oic Acid Methyl Ester
[CAS# 7753-72-2]

Identification

• Name: (5beta)-3,7-Dioxo-Cholan-24-Oic Acid Methyl Ester
• Synonyms: 5Β-Cholanic Acid 3,7-Dione Methyl Ester; 5BETA-CHOLANIC ACID 3,7-DIONE METHYL ESTER; -BETA-CHOLANIC ACID 3 7-DIONE METHYL &
• Molecular Formula: C₂₅H₃₈O₄
• Molecular Weight: 402.57
• CAS Registry Number: 7753-72-2
• SMILES: COC(=O)CC[C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2C(=O)C[C@H]2[C@]1(C)CCC(=O)C2)C
• InChI: 1S/C25H38O4/c1-15(5-8-22(28)29-4)18-6-7-19-23-20(10-12-25(18,19)3)24(2)11-9-17(26)13-16(24)14-21(23)27/h15-16,18-20,23H,5-14H2,1-4H3/t15-,16+,18-,19+,20+,23+,24+,25-/m1/s1