2-[[(3S,10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3-Carbonyl]Amino]Ethyl-Trimethylazanium Iodide
[CAS# 144108-31-6]

Identification

• Name: 2-[[(3S,10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthrene-3-Carbonyl]Amino]Ethyl-Trimethylazanium Iodide
• Synonyms: 2-[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthrene-3-Carbonyl]Amino]Ethyl-Trimethyl-Ammonium Iodide; 2-[[[(3S,10R,13R,17R)-17-[(1R)-1,5-Dimethylhexyl]-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]-Oxomethyl]Amino]Ethyl-Trimethylammonium Iodide; 2-[[(3S,10R,13R,17R)-10,13-Dimethyl-17-[(2R)-6-Methylheptan-2-Yl]-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl]Carbonylamino]Ethyl-Trimethyl-Azanium Iodide
• Molecular Formula: C₃₃H₅₉IN₂O
• Molecular Weight: 626.75
• CAS Registry Number: 144108-31-6
• SMILES: [C@]14([C@H](CCC1C2C([C@@]3(C(=CC2)C[C@H](CC3)C(=O)NCC[N+](C)(C)C)C)CC4)[C@@H](CCCC(C)C)C)C.[I-]
• InChI: 1S/C33H58N2O.HI/c1-23(2)10-9-11-24(3)28-14-15-29-27-13-12-26-22-25(31(36)34-20-21-35(6,7)8)16-18-32(26,4)30(27)17-19-33(28,29)5;/h12,23-25,27-30H,9-11,13-22H2,1-8H3;1H/t24-,25+,27?,28-,29?,30?,32+,33-;/m1./s1
• InChIKey: DHSXKGQVDZYBPG-MHCSTSKJSA-N