Methyl (3alpha,5beta,7alpha,12alpha)-7-Acetoxy-3,12-Dihydroxycholan-24-Oate
[CAS# 7432-44-2]

Identification

• Name: Methyl (3alpha,5beta,7alpha,12alpha)-7-Acetoxy-3,12-Dihydroxycholan-24-Oate
• Synonyms: Methyl 4-(7-Acetoxy-3,12-Dihydroxy-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-(7-Acetoxy-3,12-Dihydroxy-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-(7-Acetoxy-3,12-Dihydroxy-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: C₂₇H₄₄O₆
• Molecular Weight: 464.64
• CAS Registry Number: 7432-44-2
• EINECS: 231-078-6
• SMILES: C(C(C4C3(C(C2C(C1(C(CC(O)CC1)CC2OC(C)=O)C)CC3O)CC4)C)C)CC(OC)=O
• InChI: 1S/C27H44O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17-23,25,29-30H,6-14H2,1-5H3
• InChIKey: MQMDKPZWEWBJGP-UHFFFAOYSA-N

Properties

• Density: 1.155g/cm³ (Cal.)
• Boiling point: 550.692°C at 760 mmHg (Cal.)
• Flash point: 172.908°C (Cal.)