(2a,17a)-17-Hydroxy-2-(hydroxymethyl)-Pregn-4-en-20-yn-3-one
[CAS# 2787-03-3]

Identification

• Name: (2a,17a)-17-Hydroxy-2-(hydroxymethyl)-Pregn-4-en-20-yn-3-one
• Synonyms: (2S,8R,9S,10R,13S,14S)-17-Ethynyl-17-Hydroxy-10,13-Dimethyl-2-Methylol-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-3-One; Pregn-4-En-20-Yn-3-One, 17-Hydroxy-2-(Hydroxymethyl)-, (2Alpha,17Alpha)-; 2-(Hydroxymethyl)Ethisterone
• Molecular Formula: C₂₂H₃₀O₃
• Molecular Weight: 342.48
• CAS Registry Number: 2787-03-3
• SMILES: [C@H]24[C@H]1[C@@](C(O)(CC1)C#C)(CC[C@@H]2[C@@]3(C(=CC(=O)[C@@H](C3)CO)CC4)C)C
• InChI: 1S/C22H30O3/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/h1,11,14,16-18,23,25H,5-10,12-13H2,2-3H3/t14-,16+,17-,18-,20-,21-,22?/m0/s1
• InChIKey: JGJFMZZHCOKXHX-RIONBYPISA-N