3-Methoxyestra-1,3,5(10),6,8-Pentaen-17-One
[CAS# 3907-67-3]

Identification

• Name: 3-Methoxyestra-1,3,5(10),6,8-Pentaen-17-One
• Synonyms: 3-methoxyestra-1(10),2,4,6,8-pentaen-17-one; 3-Methoxyestra-1(10),2,4,6,8-pentaen-17-one #; dl-Equilenin methyl ether
• Molecular Formula: C₁₉H₂₀O₂
• Molecular Weight: 280.36
• CAS Registry Number: 3907-67-3
• SMILES: O=C4C3(CCc1c(ccc2c1ccc(OC)c2)C3CC4)C
• InChI: 1S/C19H20O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h3-6,11,17H,7-10H2,1-2H3
• InChIKey: LAFFTPKGTZPBMG-UHFFFAOYSA-N

Properties

• Density: 1.169g/cm³ (Cal.)
• Boiling point: 451.347°C at 760 mmHg (Cal.)
• Flash point: 202.46°C (Cal.)