Methyl 7alpha,12alpha-Dihydroxy-3-Oxo-5beta-Cholan-24-Oate
[CAS# 14772-99-7]

Identification

• Name: Methyl 7alpha,12alpha-Dihydroxy-3-Oxo-5beta-Cholan-24-Oate
• Synonyms: 4-(7,12-Dihydroxy-10,13-Dimethyl-3-Oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl)Pentanoic Acid Methyl Ester; 4-(7,12-Dihydroxy-3-Keto-10,13-Dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl)Valeric Acid Methyl Ester
• Molecular Formula: C₂₅H₄₀O₅
• Molecular Weight: 420.59
• CAS Registry Number: 14772-99-7
• EINECS: 238-839-1
• SMILES: C(C(C4C3(C(C1C(C2(C(CC1O)CC(=O)CC2)C)CC3O)CC4)C)C)CC(OC)=O
• 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
• InChIKey: CIZOGAIBGCZRCL-UHFFFAOYSA-N

Properties

• Density: 1.138g/cm³ (Cal.)
• Boiling point: 539.973°C at 760 mmHg (Cal.)
• Flash point: 175.151°C (Cal.)