11alpha,17,21-三羟基孕甾-4-烯-3,20-二酮 21-乙酸酯
[CAS# 1250-97-1]

基本信息

• 产品名称: 11alpha,17,21-三羟基孕甾-4-烯-3,20-二酮 21-乙酸酯
• 英文名: 11alpha,17,21-Trihydroxypregn-4-Ene-3,20-Dione 21-Acetate
• 别名: [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-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] Acetate; Acetic Acid [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-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; Acetic Acid [2-[(8S,9S,10R,11R,13S,14S,17R)-11,17-Dihydroxy-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: C₂₃H₃₂O₆
• 分子量: 404.50
• CAS 登录号: 1250-97-1
• EINECS 登录号: 215-008-1
• 分子行输入简码 SMILES: [C@H]34[C@H]2[C@@H]([C@@]1(C(=CC(=O)CC1)CC2)C)[C@H](O)C[C@@]3([C@](O)(CC4)C(=O)COC(=O)C)C
• 国际化学标识码 InChI: 1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18+,20+,21-,22-,23-/m0/s1
• 国际化学标识检索码 InChIKey: ALEXXDVDDISNDU-VVCDUNCFSA-N

物理化学性质

• 密度: 1.267g/cm³ （计算值）
• 沸点: 576.556°C at 760 mmHg （计算值）
• 闪点: 196.167°C （计算值）