5-Pregnen-3beta-Ol-20-One-16alpha-Carbonitrile
[CAS# 1434-54-4]

Identification

• Name: 5-Pregnen-3beta-Ol-20-One-16alpha-Carbonitrile
• Synonyms: (3S,8S,9S,10R,13S,14S,16R,17S)-17-Ethanoyl-3-Hydroxy-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-16-Carbonitrile; Ncgc00023220-03; Pcn
• Molecular Formula: C₂₂H₃₁NO₂
• Molecular Weight: 341.49
• CAS Registry Number: 1434-54-4
• SMILES: [C@H]23[C@H]1[C@@]([C@H]([C@@H](C1)C#N)C(=O)C)(CC[C@@H]2[C@@]4(C(=CC3)C[C@@H](O)CC4)C)C
• InChI: 1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20-,21-,22-/m0/s1
• InChIKey: VSBHRRMYCDQLJF-ZDNYCOCVSA-N