3-Acetoxyestra-1,3,5,7,9-Pentene-17-One
[CAS# 6030-91-7]

Identification

• Name: 3-Acetoxyestra-1,3,5,7,9-Pentene-17-One
• Synonyms: Acetic Acid (13-Methyl-17-Oxo-12,14,15,16-Tetrahydro-11H-Cyclopenta[A]Phenanthren-3-Yl) Ester; Acetic Acid (17-Keto-13-Methyl-12,14,15,16-Tetrahydro-11H-Cyclopenta[A]Phenanthren-3-Yl) Ester; (13-Methyl-17-Oxo-12,14,15,16-Tetrahydro-11H-Cyclopenta[A]Phenanthren-3-Yl) Ethanoate
• Molecular Formula: C₂₀H₂₀O₃
• Molecular Weight: 308.38
• CAS Registry Number: 6030-91-7
• SMILES: C1=CC4=C(C3=C1C2C(C(=O)CC2)(C)CC3)C=CC(=C4)OC(C)=O
• InChI: 1S/C20H20O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h3-6,11,18H,7-10H2,1-2H3
• InChIKey: BXYLRGRVWPHELN-UHFFFAOYSA-N

Properties

• Density: 1.216g/cm³ (Cal.)
• Boiling point: 482.743°C at 760 mmHg (Cal.)
• Flash point: 213.626°C (Cal.)