2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-Acetyl-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-16-Yl]Acetonitrile
[CAS# 102812-95-3]

Identification

• Name: 2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-Acetyl-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-16-Yl]Acetonitrile
• Synonyms: 2-[(3S,8S,9S,10R,13S,14S,16S,17S)-17-Ethanoyl-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-16-Yl]Ethanenitrile; Pregnenolone 16Alpha-Acetonitrile; Pgaan
• Molecular Formula: C₂₃H₃₃NO₂
• Molecular Weight: 355.52
• CAS Registry Number: 102812-95-3
• SMILES: [C@H]23[C@H]1[C@@]([C@H]([C@@H](C1)CC#N)C(=O)C)(CC[C@@H]2[C@@]4(C(=CC3)C[C@@H](O)CC4)C)C
• InChI: 1S/C23H33NO2/c1-14(25)21-15(8-11-24)12-20-18-5-4-16-13-17(26)6-9-22(16,2)19(18)7-10-23(20,21)3/h4,15,17-21,26H,5-10,12-13H2,1-3H3/t15-,17+,18-,19+,20+,21+,22+,23+/m1/s1
• InChIKey: GMWISVUOUTUEHN-WISGCMSASA-N