Methyl 3alpha,7alpha-Diacetoxy-12-Oxo-5beta-Cholan-24-Oate
[CAS# 28535-81-1]

Identification

• Name: Methyl 3alpha,7alpha-Diacetoxy-12-Oxo-5beta-Cholan-24-Oate
• Synonyms: Methyl 4-(3,7-Diacetyloxy-10,13-Dimethyl-12-Oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl)Pentanoate; Methyl 4-[(7R)-3,7-Diacetoxy-10,13-Dimethyl-12-Oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl]Pentanoate; Methyl 4-(3,7-Diacetoxy-10,13-Dimethyl-12-Oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-17-Yl)Pentanoate
• Molecular Formula: C₂₉H₄₄O₇
• Molecular Weight: 504.66
• CAS Registry Number: 28535-81-1
• EINECS: 249-070-6
• SMILES: C(C(C4C3(C(C2C(C1(C(CC(OC(C)=O)CC1)CC2OC(C)=O)C)CC3=O)CC4)C)C)CC(OC)=O
• InChI: 1S/C29H44O7/c1-16(7-10-26(33)34-6)21-8-9-22-27-23(15-25(32)29(21,22)5)28(4)12-11-20(35-17(2)30)13-19(28)14-24(27)36-18(3)31/h16,19-24,27H,7-15H2,1-6H3
• InChIKey: GVIZCQOBODPSLY-UHFFFAOYSA-N

Properties

• Density: 1.15g/cm³ (Cal.)
• Boiling point: 559.155°C at 760 mmHg (Cal.)
• Flash point: 233.606°C (Cal.)