[(8R,9S,10R,13S,14S,17S)-17-Ethynyl-13-Methyl-3-Oxo-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
[CAS# 38673-38-0]

Identification

• Name: [(8R,9S,10R,13S,14S,17S)-17-Ethynyl-13-Methyl-3-Oxo-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[a]Phenanthren-17-Yl] Acetate
• Synonyms: Acetic Acid [(8R,9S,10R,13S,14S,17S)-17-Ethynyl-13-Methyl-3-Oxo-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; Acetic Acid [(8R,9S,10R,13S,14S,17S)-17-Ethynyl-3-Keto-13-Methyl-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ester; [(8R,9S,10R,13S,14S,17S)-17-Ethynyl-13-Methyl-3-Oxo-1,2,6,7,8,9,10,11,12,14,15,16-Dodecahydrocyclopenta[A]Phenanthren-17-Yl] Ethanoate
• Molecular Formula: C₂₂H₂₈O₃
• Molecular Weight: 340.46
• CAS Registry Number: 38673-38-0
• SMILES: [C@H]34[C@H]2[C@@H]([C@@H]1C(=CC(=O)CC1)CC2)CC[C@@]3([C@](OC(=O)C)(CC4)C#C)C
• InChI: 1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22+/m0/s1
• InChIKey: IMONTRJLAWHYGT-REGVOWLASA-N