3alpha-Acetyloxy-7alpha,12alpha-Dihydroxy-5beta-Cholan-24-Oic Acid Methyl Ester
[CAS# 7443-91-6]

Identification

• Name: 3alpha-Acetyloxy-7alpha,12alpha-Dihydroxy-5beta-Cholan-24-Oic Acid Methyl Ester
• Synonyms: Methyl 4-(3-Acetoxy-7,12-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-(3-Acetoxy-7,12-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-(3-Acetoxy-7,12-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: 7443-91-6
• SMILES: C(C(C4C3(C(C2C(C1(C(CC(OC(C)=O)CC1)CC2O)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(33-16(2)28)12-17(26)13-22(25)29/h15,17-23,25,29-30H,6-14H2,1-5H3
• InChIKey: RYUNWMNMODIREU-UHFFFAOYSA-N

Properties

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