(6alpha,17beta)-17-Ethynyl-6,17-Dihydroxyestr-4-En-3-One
[CAS# 438244-33-8]

Identification

• Name: (6alpha,17beta)-17-Ethynyl-6,17-Dihydroxyestr-4-En-3-One
• Synonyms: (6α,17β)-17-Ethinyl-6,17-dihydroxyestr-4-en-3-on; (6α,17β)-17-Ethynyl-6,17-dihydroxyestr-4-en-3-one; (6α,17β)-17-Éthynyl-6,17-dihydroxyestr-4-én-3-one
• Molecular Formula: C₂₀H₂₆O₃
• Molecular Weight: 314.42
• CAS Registry Number: 438244-33-8
• SMILES: C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4[C@H](C[C@H]3[C@@H]1CC[C@]2(C#C)O)O
• InChI: 1S/C20H26O3/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/h1,10,13-15,17-18,22-23H,4-9,11H2,2H3/t13-,14-,15-,17+,18+,19+,20+/m1/s1
• InChIKey: RONQVEAZNZIVHW-KLEXHFHZSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 493.7±45.0°C at 760 mmHg (Cal.)
• Flash point: 266.5±25.2°C (Cal.)
• Refractive index: 1.595 (Cal.)