3alpha,7alpha-Bis(Acetyloxy)Cholan-24-Oic Acid Methyl Ester
[CAS# 56085-34-8]

Identification

• Name: 3alpha,7alpha-Bis(Acetyloxy)Cholan-24-Oic Acid Methyl Ester
• Synonyms: Methyl 4-(3,7-Diacetoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl)Pentanoate; 4-(3,7-Diacetoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl)Pentanoic Acid Methyl Ester; 4-(3,7-Diacetoxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl)Valeric Acid Methyl Ester
• Molecular Formula: C₂₉H₄₆O₆
• Molecular Weight: 490.68
• CAS Registry Number: 56085-34-8
• SMILES: C(C(C1CCC2C1(C)CCC3C2C(CC4C3(C)CCC(C4)OC(C)=O)OC(C)=O)C)CC(OC)=O
• InChI: 1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3
• InChIKey: ZKHVKSAMEUAGEN-UHFFFAOYSA-N

Properties

• Density: 1.11g/cm³ (Cal.)
• Boiling point: 531.021°C at 760 mmHg (Cal.)
• Flash point: 221.157°C (Cal.)