[4-[(11R,13S,17R)-17-Hydroxy-13-Methyl-3-Oxo-17-Prop-1-Ynyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-11-Yl]Phenyl]-Trimethylazanium Chloride
[CAS# 109345-60-0]

Identification

• Name: [4-[(11R,13S,17R)-17-Hydroxy-13-Methyl-3-Oxo-17-Prop-1-Ynyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[a]Phenanthren-11-Yl]Phenyl]-Trimethylazanium Chloride
• Synonyms: [4-[(11R,13S,17R)-17-Hydroxy-13-Methyl-3-Oxo-17-Prop-1-Ynyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-11-Yl]Phenyl]-Trimethyl-Ammonium Chloride; [4-[(11R,13S,17R)-17-Hydroxy-13-Methyl-3-Oxo-17-Prop-1-Ynyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-11-Yl]Phenyl]-Trimethylammonium Chloride; [4-[(11R,13S,17R)-17-Hydroxy-3-Keto-13-Methyl-17-Prop-1-Ynyl-1,2,6,7,8,11,12,14,15,16-Decahydrocyclopenta[A]Phenanthren-11-Yl]Phenyl]-Trimethyl-Ammonium Chloride
• Molecular Formula: C₃₀H₃₈ClNO₂
• Molecular Weight: 480.09
• CAS Registry Number: 109345-60-0
• SMILES: [C@]35(C(C2C(=C1C(=CC(=O)CC1)CC2)[C@H](C3)C4=CC=C([N+](C)(C)C)C=C4)CC[C@]5(O)C#CC)C.[Cl-]
• InChI: 1S/C30H38NO2.ClH/c1-6-16-30(33)17-15-27-25-13-9-21-18-23(32)12-14-24(21)28(25)26(19-29(27,30)2)20-7-10-22(11-8-20)31(3,4)5;/h7-8,10-11,18,25-27,33H,9,12-15,17,19H2,1-5H3;1H/q+1;/p-1/t25?,26-,27?,29+,30-;/m1./s1
• InChIKey: BOYVMWBEQCZPAM-YHBHNODXSA-M