(5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-3,11,17-Trioxo-2,4,6,7,8,9,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-5-Carbonitrile
[CAS# 144940-53-4]

Identification

• Name: (5R,8S,9S,10R,13S,14S)-10,13-Dimethyl-3,11,17-Trioxo-2,4,6,7,8,9,12,14,15,16-Decahydro-1H-Cyclopenta[a]Phenanthrene-5-Carbonitrile
• Synonyms: (5R,8S,9S,10R,13S,14S)-3,11,17-Triketo-10,13-Dimethyl-2,4,6,7,8,9,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthrene-5-Carbonitrile; 3,11,17-Trioxoandrostane-5-Carbonitrile; 3,11,17-Trioxoandrostane-5Alpha-Carbonitrile
• Molecular Formula: C₂₀H₂₅NO₃
• Molecular Weight: 327.42
• CAS Registry Number: 144940-53-4
• SMILES: [C@@]12(CC(CC[C@@]1([C@@H]4[C@@H](CC2)[C@@H]3CCC([C@@]3(C)CC4=O)=O)C)=O)C#N
• InChI: 1S/C20H25NO3/c1-18-10-15(23)17-13(14(18)3-4-16(18)24)6-8-20(11-21)9-12(22)5-7-19(17,20)2/h13-14,17H,3-10H2,1-2H3/t13-,14-,17+,18-,19+,20-/m0/s1
• InChIKey: KTCCSAJITZHMGX-DTVKZUOLSA-N