(8R,9S,10R,13S,14S,17S)-13-Ethyl-17-ethynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl cyclobutanecarboxylate
[CAS# 86679-36-9]

Identification

• Name: (8R,9S,10R,13S,14S,17S)-13-Ethyl-17-ethynyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl cyclobutanecarboxylate
• Synonyms: 13-ethyl-17α-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one cyclobutanecarboxylate
• Molecular Formula: C₂₆H₃₄O₃
• Molecular Weight: 394.55
• CAS Registry Number: 86679-36-9
• EINECS: 289-271-6
• SMILES: O=C4C=C5CC[C@@H]3[C@H](CC[C@@]2(CC)[C@H]3CC[C@@]2(C#C)OC(=O)C1CCC1)[C@H]5CC4
• InChI: 1S/C26H34O3/c1-3-25-14-12-21-20-11-9-19(27)16-18(20)8-10-22(21)23(25)13-15-26(25,4-2)29-24(28)17-6-5-7-17/h2,16-17,20-23H,3,5-15H2,1H3/t20-,21+,22+,23-,25-,26+/m0/s1
• InChIKey: WWGTWFPUIPEHNX-VPNBNBKUSA-N

Properties

• Density: 1.152g/cm³ (Cal.)
• Boiling point: 512.422°C at 760 mmHg (Cal.)
• Flash point: 219.879°C (Cal.)