[(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]3-碘-2,6-二甲基苯甲酸酯
[CAS# 124784-16-3]

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]3-碘-2,6-二甲基苯甲酸酯
• 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] 3-Iodo-2,6-Dimethylbenzoate
• 别名: [(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] 3-Iodo-2,6-Dimethyl-Benzoate; 3-Iodo-2,6-Dimethylbenzoic 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; 3-Iodo-2,6-Dimethyl-Benzoic 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
• 分子式: C₃₀H₃₉IO₃
• 分子量: 574.54
• CAS 登录号: 124784-16-3
• 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)C4=C(C=CC(=C4C)I)C)CC5)C)C
• 国际化学标识码 InChI: 1S/C30H39IO3/c1-17-6-11-26(31)18(2)27(17)28(33)34-21-12-14-29(4)20(16-21)7-8-22-24-10-9-23(19(3)32)30(24,5)15-13-25(22)29/h6-7,11,21-25H,8-10,12-16H2,1-5H3/t21-,22-,23+,24-,25-,29-,30+/m0/s1
• 国际化学标识检索码 InChIKey: MIIBLUAAEAEFJK-KWIQMPNJSA-N

物理化学性质

• 密度: 1.364g/cm³ （计算值）
• 沸点: 597.891°C at 760 mmHg （计算值）
• 闪点: 315.393°C （计算值）