3-Methoxyestra-1,3,5(10),6-Tetraen-17-One
[CAS# 17253-36-0]

Identification

• Name: 3-Methoxyestra-1,3,5(10),6-Tetraen-17-One
• Synonyms: 3-Methoxyestra-1,3,5(10),6-Tetraen-17-One
• Molecular Formula: C₁₉H₂₂O₂
• Molecular Weight: 282.38
• CAS Registry Number: 17253-36-0
• EINECS: 241-287-4
• SMILES: C1=CC(=CC4=C1C3C(C2C(C(=O)CC2)(C)CC3)C=C4)OC
• InChI: 1S/C19H22O2/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/h3-6,11,15-17H,7-10H2,1-2H3
• InChIKey: SIXKLAYWNMHDIQ-UHFFFAOYSA-N

Properties

• Density: 1.125g/cm³ (Cal.)
• Boiling point: 435.13°C at 760 mmHg (Cal.)
• Flash point: 190.385°C (Cal.)