[(3S,5R,7R,8S,10S,13R,14S,17R)-9-Cyano-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-7-Methylsulfonyloxy-1,2,3,4,5,6,7,8,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-Yl] Acetate
[CAS# 78806-56-1]

Identification

• Name: [(3S,5R,7R,8S,10S,13R,14S,17R)-9-Cyano-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-7-Methylsulfonyloxy-1,2,3,4,5,6,7,8,11,12,14,15,16,17-Tetradecahydrocyclopenta[a]Phenanthren-3-Yl] Acetate
• Synonyms: [(3S,5R,7R,8S,10S,13R,14S,17R)-9-Cyano-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-7-Methylsulfonyloxy-1,2,3,4,5,6,7,8,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Acetate; Acetic Acid [(3S,5R,7R,8S,10S,13R,14S,17R)-9-Cyano-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-7-Methylsulfonyloxy-1,2,3,4,5,6,7,8,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5R,7R,8S,10S,13R,14S,17R)-9-Cyano-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-7-Methylsulfonyloxy-1,2,3,4,5,6,7,8,11,12,14,15,16,17-Tetradecahydrocyclopenta[A]Phenanthren-3-Yl] Ethanoate
• Molecular Formula: C₃₁H₅₁NO₅S
• Molecular Weight: 549.81
• CAS Registry Number: 78806-56-1
• SMILES: [C@@H]1(CC[C@]3([C@H](C1)C[C@H]([C@H]4[C@@H]2CC[C@H]([C@@H](CCCC(C)C)C)[C@@]2(C)CCC34C#N)O[S](=O)(=O)C)C)OC(=O)C
• InChI: 1S/C31H51NO5S/c1-20(2)9-8-10-21(3)25-11-12-26-28-27(37-38(7,34)35)18-23-17-24(36-22(4)33)13-14-30(23,6)31(28,19-32)16-15-29(25,26)5/h20-21,23-28H,8-18H2,1-7H3/t21-,23-,24+,25-,26+,27-,28-,29-,30+,31?/m1/s1
• InChIKey: UGQJPOOFVAXUFV-BBILVHIOSA-N