N-Propyl-N-[2-(2,4,6-Trichlorophenoxy)Ethyl]-1H-Imidazole-1-Carboxamide - (25S)-Spirostan (1:1)
[CAS# 11026-01-0]

Identification

• Name: N-Propyl-N-[2-(2,4,6-Trichlorophenoxy)Ethyl]-1H-Imidazole-1-Carboxamide - (25S)-Spirostan (1:1)
• Synonyms: sapogenin A
• Molecular Formula: C₄₂H₆₀Cl₃N₃O₄
• Molecular Weight: 777.30
• CAS Registry Number: 11026-01-0
• SMILES: CCCN(CCOc1c(cc(cc1Cl)Cl)Cl)C(=O)n2ccnc2.C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CCC6[C@@]5(CCCC6)C)C)C)OC1
• InChI: 1S/C27H44O2.C15H16Cl3N3O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4;1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h17-24H,5-16H2,1-4H3;3,5,8-10H,2,4,6-7H2,1H3/t17-,18-,19?,20+,21-,22-,23-,24-,25-,26-,27+;/m0./s1
• InChIKey: FGTWCLFDJLBHLY-HUWXANOKSA-N

Properties

• Refractive index: (Cal.)