(17a)-17-Hydroxy-2-(hydroxymethylene)-Pregn-4-en-20-yn-3-one
[CAS# 2787-02-2]

Identification

• Name: (17a)-17-Hydroxy-2-(hydroxymethylene)-Pregn-4-en-20-yn-3-one
• Synonyms: (2Z,8R,9S,10R,13S,14S,17R)-17-Ethynyl-17-Hydroxy-2-(Hydroxymethylene)-10,13-Dimethyl-1,6,7,8,9,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-3-One; 17Alpha-Hydroxy-2-(Hydroxymethylene)Pregn-4-En-20-Yn-3-One
• Molecular Formula: C₂₂H₂₈O₃
• Molecular Weight: 340.46
• CAS Registry Number: 2787-02-2
• EINECS: 220-513-5
• SMILES: [C@]12(C(=CC(C(/C1)=C\O)=O)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C)C
• InChI: 1S/C22H28O3/c1-4-22(25)10-8-18-16-6-5-15-11-19(24)14(13-23)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,23,25H,5-10,12H2,2-3H3/b14-13-/t16-,17+,18+,20+,21+,22+/m1/s1
• InChIKey: FYEOMZSZJFOTGQ-GXWGVVPNSA-N