17b-Hydroxy-17-propadienylestra-4,9-dien-3-one
[CAS# 27806-42-4]

Identification

• Name: 17b-Hydroxy-17-propadienylestra-4,9-dien-3-one
• Synonyms: Estra-4,9-Dien-3-One, 17-Hydroxy-17-(1,2-Propadienyl)-, (17Beta)-; Oxolven; Sa 45249
• Molecular Formula: C₂₁H₂₆O₂
• Molecular Weight: 310.44
• CAS Registry Number: 27806-42-4
• SMILES: [C@H]13[C@@]([C@](O)(CC1)[CH]=[C]=[CH2])(CCC4=C2C(=CC(=O)CC2)CC[C@@H]34)C
• InChI: 1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h10,13,18-19,23H,1,4-9,11-12H2,2H3/t18-,19+,20+,21-/m1/s1
• InChIKey: RBQWEDYROUFTDJ-IVAOSVALSA-N

Properties

• Density: 1.124g/cm³ (Cal.)
• Boiling point: 496.063°C at 760 mmHg (Cal.)
• Flash point: 210.323°C (Cal.)