(17beta)-17-Ethynyl-17-Hydroxyestra-4,6-Dien-3-One
[CAS# 31528-46-8]

Identification

• Name: (17beta)-17-Ethynyl-17-Hydroxyestra-4,6-Dien-3-One
• Synonyms: 17-Hydroxy-19-nor-17α-pregna-4,6-dien-20-yn-3-one; 6,7-Didehydronorethisterone
• Molecular Formula: C₂₀H₂₄O₂
• Molecular Weight: 296.40
• CAS Registry Number: 31528-46-8
• SMILES: O=C\1CC[C@H]4C(=C/1)/C=C\[C@@H]2[C@@H]4CC[C@]3(C)[C@@](O)(CC[C@@H]23)C#C
• InChI: 1S/C20H24O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,4,6,12,15-18,22H,5,7-11H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1
• InChIKey: SWNFRSGMYREPFG-XGXHKTLJSA-N

Properties

• Density: 1.179g/cm³ (Cal.)
• Boiling point: 464.567°C at 760 mmHg (Cal.)
• Flash point: 197.656°C (Cal.)