[(3S,8S,9S,10R,13R,14S,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] 2-Pyridin-1-Ium-1-Ylethyl Phosphate
[CAS# 143693-01-0]

Identification

• Name: [(3S,8S,9S,10R,13R,14S,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] 2-Pyridin-1-Ium-1-Ylethyl Phosphate
• Synonyms: [(3S,8S,9S,10R,13R,14S,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] 2-Pyridin-1-Ium-1-Ylethyl Phosphate; [(3S,8S,9S,10R,13R,14S,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] 2-(1-Pyridin-1-Iumyl)Ethyl Phosphate; Cpep
• Molecular Formula: C₃₄H₅₄NO₄P
• Molecular Weight: 571.78
• CAS Registry Number: 143693-01-0
• SMILES: [C@H]45[C@H]1[C@@H]([C@@]3(C(=CC1)C[C@@H](O[P](OCC[N+]2=CC=CC=C2)([O-])=O)CC3)C)CC[C@@]4([C@H](CC5)[C@@H](CCCC(C)C)C)C
• InChI: 1S/C34H54NO4P/c1-25(2)10-9-11-26(3)30-14-15-31-29-13-12-27-24-28(16-18-33(27,4)32(29)17-19-34(30,31)5)39-40(36,37)38-23-22-35-20-7-6-8-21-35/h6-8,12,20-21,25-26,28-32H,9-11,13-19,22-24H2,1-5H3/t26-,28+,29+,30-,31+,32+,33+,34-/m1/s1
• InChIKey: ZIQMQJFDJLTAEN-PWAICBBHSA-N