(17S)-21-(碘乙酰氧基)-17-羟基孕甾-4-烯-3,20-二酮
[CAS# 27953-64-6]

基本信息

• 产品名称: (17S)-21-(碘乙酰氧基)-17-羟基孕甾-4-烯-3,20-二酮
• 英文名: (17S)-21-(Iodoacetoxy)-17-Hydroxypregn-4-Ene-3,20-Dione
• 别名: [2-[(8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxo-Ethyl] 2-Iodoacetate; 2-Iodoacetic Acid [2-[(8R,9S,10R,13S,14S,17R)-17-Hydroxy-10,13-Dimethyl-3-Oxo-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Oxoethyl] Ester; 2-Iodoacetic Acid [2-[(8R,9S,10R,13S,14S,17R)-17-Hydroxy-3-Keto-10,13-Dimethyl-2,6,7,8,9,11,12,14,15,16-Decahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Keto-Ethyl] Ester
• 分子式: C₂₃H₃₁IO₅
• 分子量: 514.40
• CAS 登录号: 27953-64-6
• 分子行输入简码 SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)CC[C@@]3([C@](O)(CC4)C(=O)COC(=O)CI)C
• 国际化学标识码 InChI: 1S/C23H31IO5/c1-21-8-5-15(25)11-14(21)3-4-16-17(21)6-9-22(2)18(16)7-10-23(22,28)19(26)13-29-20(27)12-24/h11,16-18,28H,3-10,12-13H2,1-2H3/t16-,17+,18+,21+,22+,23+/m1/s1
• 国际化学标识检索码 InChIKey: PVHZKZWSFLQBEH-BZRUYPMDSA-N

物理化学性质

• 密度: 1.508g/cm³ （计算值）
• 沸点: 602.863°C at 760 mmHg （计算值）
• 闪点: 318.4°C （计算值）