(17beta)-17-Ethynyl-17-hydroxyestr-4-ene-3,6-dione
[CAS# 67696-78-0]

Identification

• Name: (17beta)-17-Ethynyl-17-hydroxyestr-4-ene-3,6-dione
• Synonyms: (17β)-17-Ethinyl-17-hydroxyestr-4-en-3,6-dion; (17β)-17-Ethynyl-17-hydroxyestr-4-ene-3,6-dione; (17β)-17-Éthynyl-17-hydroxyestr-4-ène-3,6-dione
• Molecular Formula: C₂₀H₂₄O₃
• Molecular Weight: 312.40
• CAS Registry Number: 67696-78-0
• SMILES: C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C(=O)C[C@H]3[C@@H]1CC[C@]2(C#C)O
• InChI: 1S/C20H24O3/c1-3-20(23)9-7-17-15-11-18(22)16-10-12(21)4-5-13(16)14(15)6-8-19(17,20)2/h1,10,13-15,17,23H,4-9,11H2,2H3/t13-,14-,15-,17+,19+,20+/m1/s1
• InChIKey: GFUSEGGPVQNTTK-WLCXVKOPSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 475.0±45.0°C at 760 mmHg (Cal.)
• Flash point: 255.2±25.2°C (Cal.)