[(3S,8S,9S,10R,13S,14S,17S)-17-乙酰基-10,13-二甲基-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-3-基]N-(4-碘苯基)氨基甲酸酯
[CAS# 124824-12-0]

基本信息

• 产品名称: [(3S,8S,9S,10R,13S,14S,17S)-17-乙酰基-10,13-二甲基-2,3,4,7,8,9,11,12,14,15,16,17-十二氢-1H-环戊二烯并[a]菲-3-基]N-(4-碘苯基)氨基甲酸酯
• 英文名: [(3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-Yl] N-(4-Iodophenyl)Carbamate
• 别名: N-(4-Iodophenyl)Carbamic Acid [(3S,8S,9S,10R,13S,14S,17S)-17-Acetyl-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,8S,9S,10R,13S,14S,17S)-17-Ethanoyl-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] N-(4-Iodophenyl)Carbamate; (3Beta)-3-((((4-Iodophenyl)Amino)Carbonyl)Oxy)Pregn-5-En-20-One
• 分子式: C₂₈H₃₆INO₃
• 分子量: 561.50
• CAS 登录号: 124824-12-0
• 分子行输入简码 SMILES: [C@H]23[C@H]1[C@@]([C@H](CC1)C(=O)C)(CC[C@@H]2[C@@]5(C(=CC3)C[C@@H](OC(=O)NC4=CC=C(I)C=C4)CC5)C)C
• 国际化学标识码 InChI: 1S/C28H36INO3/c1-17(31)23-10-11-24-22-9-4-18-16-21(33-26(32)30-20-7-5-19(29)6-8-20)12-14-27(18,2)25(22)13-15-28(23,24)3/h4-8,21-25H,9-16H2,1-3H3,(H,30,32)/t21-,22-,23+,24-,25-,27-,28+/m0/s1
• 国际化学标识检索码 InChIKey: NVKBMJWRJHYUAC-PUWKGJKWSA-N

物理化学性质

• 密度: 1.413g/cm³ （计算值）
• 沸点: 573.517°C at 760 mmHg （计算值）
• 闪点: 300.652°C （计算值）