Methyl 3alpha-acetoxy-13alpha-carbomethoxy-16-oxo-17-oxa-13,17-seco-7alpha,17-cyclo-5beta-androstane
[CAS# 74915-13-2]

Identification

• Name: Methyl 3alpha-acetoxy-13alpha-carbomethoxy-16-oxo-17-oxa-13,17-seco-7alpha,17-cyclo-5beta-androstane
• Synonyms: Methyl 3Alpha-Acetoxy-13Alpha-Carbomethoxy-16-Oxo-17-Oxa-13,17-Seco-7Alpha,17-Cyclo-5Beta-Androstane; 4,20-Dinorpicrasane-13-Carboxylic Acid, 3-(Acetyloxy)-16-Oxo-, Methyl Ester, (3Alpha,5Beta,13Beta,14Alpha)-
• Molecular Formula: C₂₂H₃₂O₆
• Molecular Weight: 392.49
• CAS Registry Number: 74915-13-2
• SMILES: CC3(CCC2C1(CCC(CC1CC4C2C3CC(O4)=O)OC(C)=O)C)C(OC)=O
• InChI: 1S/C22H32O6/c1-12(23)27-14-5-7-21(2)13(9-14)10-17-19-15(21)6-8-22(3,20(25)26-4)16(19)11-18(24)28-17/h13-17,19H,5-11H2,1-4H3
• InChIKey: VMBXOXQCDZJGAS-UHFFFAOYSA-N

Properties

• Density: 1.196g/cm³ (Cal.)
• Boiling point: 499.362°C at 760 mmHg (Cal.)
• Flash point: 215.632°C (Cal.)