3-Methoxy-5,6-Secoestra-1,3,5(10),8,14-Pentaene-17-One
[CAS# 56933-74-5]

Identification

• Name: 3-Methoxy-5,6-Secoestra-1,3,5(10),8,14-Pentaene-17-One
• Synonyms: 3-Methoxy-5,6-Secoestra-1,3,5(10),8,14-Pentaene-17-One; 3-Mspo; 1H-Inden-1-One, 4-Ethyl-2,6,7,7A-Tetrahydro-5-(4-Methoxyphenyl)-7A-Methyl-
• Molecular Formula: C₁₉H₂₂O₂
• Molecular Weight: 282.38
• CAS Registry Number: 56933-74-5
• SMILES: C3=C(C2=C(C1=CCC(=O)C1(CC2)C)CC)C=CC(=C3)OC
• InChI: 1S/C19H22O2/c1-4-15-16(13-5-7-14(21-3)8-6-13)11-12-19(2)17(15)9-10-18(19)20/h5-9H,4,10-12H2,1-3H3
• InChIKey: PKKUZFYAFDBPQZ-UHFFFAOYSA-N

Properties

• Density: 1.108g/cm³ (Cal.)
• Boiling point: 431.661°C at 760 mmHg (Cal.)
• Flash point: 185.374°C (Cal.)