Methyl 3alpha-[(Ethoxycarbonyl)Oxy]-7,12-Dioxo-5beta-Cholan-24-Oate
[CAS# 21059-42-7]

Identification

• Name: Methyl 3alpha-[(Ethoxycarbonyl)Oxy]-7,12-Dioxo-5beta-Cholan-24-Oate
• Synonyms: 4-(3-Ethoxycarbonyloxy-10,13-Dimethyl-7,12-Dioxo-2,3,4,5,6,8,9,11,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl)Pentanoic Acid Methyl Ester; 4-(3-Carbethoxyoxy-7,12-Diketo-10,13-Dimethyl-2,3,4,5,6,8,9,11,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl)Valeric Acid Methyl Ester
• Molecular Formula: C₂₈H₄₂O₇
• Molecular Weight: 490.64
• CAS Registry Number: 21059-42-7
• EINECS: 244-184-2
• SMILES: C(C(C4C3(C(C2C(C1(C(CC(OC(OCC)=O)CC1)CC2=O)C)CC3=O)CC4)C)C)CC(OC)=O
• InChI: 1S/C28H42O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-21,25H,6-15H2,1-5H3
• InChIKey: ZVEMQMLASDHXDY-UHFFFAOYSA-N

Properties

• Density: 1.162g/cm³ (Cal.)
• Boiling point: 594.499°C at 760 mmHg (Cal.)
• Flash point: 250.399°C (Cal.)