(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-Prop-2-Ynoyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
[CAS# 72012-09-0]

Identification

• Name: (8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-Prop-2-Ynoyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[a]Phenanthren-3-One
• Synonyms: (8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-(1-Oxoprop-2-Ynyl)-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; (8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-17-Propioloyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-3-One; 17-Opao
• Molecular Formula: C₂₂H₂₈O₂
• Molecular Weight: 324.46
• CAS Registry Number: 72012-09-0
• SMILES: [C@H]24[C@H]1[C@@]([C@H](CC1)C(=O)C#C)(CC[C@@H]2[C@@]3(C(=CC(=O)CC3)CC4)C)C
• InChI: 1S/C22H28O2/c1-4-20(24)19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h1,13,16-19H,5-12H2,2-3H3/t16-,17-,18-,19+,21-,22-/m0/s1
• InChIKey: SDRMEFNHIVGTPD-XUCMERPOSA-N