(5S,8R,9S,10S,13S,14S)-17-羟基-17-[(E)-2-碘乙烯基]-10,13-二甲基-2,4,5,6,7,8,9,11,12,14,15,16-十二氢-1H-环戊二烯并[a]菲-3-酮
[CAS# 129163-98-0]

基本信息

• 产品名称: (5S,8R,9S,10S,13S,14S)-17-羟基-17-[(E)-2-碘乙烯基]-10,13-二甲基-2,4,5,6,7,8,9,11,12,14,15,16-十二氢-1H-环戊二烯并[a]菲-3-酮
• 英文名: (5S,8R,9S,10S,13S,14S)-17-Hydroxy-17-[(E)-2-Iodoethenyl]-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[a]Phenanthren-3-One
• 别名: (5S,8R,9S,10S,13S,14S)-17-Hydroxy-17-[(E)-2-Iodovinyl]-10,13-Dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-One; (5Alpha,17Alpha,20E)-17-Hydroxy-21-Iodopregn-20-En-3-One; 17-(2-Iodovinyl)Dihydrotestosterone
• 分子式: C₂₁H₃₁IO₂
• 分子量: 442.38
• CAS 登录号: 129163-98-0
• 分子行输入简码 SMILES: [C@H]12CC(CC[C@@]1([C@@H]4[C@@H](CC2)[C@@H]3CCC(\C=C\I)([C@@]3(C)CC4)O)C)=O
• 国际化学标识码 InChI: 1S/C21H31IO2/c1-19-8-5-15(23)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20,24)11-12-22/h11-12,14,16-18,24H,3-10,13H2,1-2H3/b12-11+/t14-,16+,17-,18-,19-,20-,21?/m0/s1
• 国际化学标识检索码 InChIKey: DWUIOIDQYOFBEC-RELFHSLBSA-N

物理化学性质

• 密度: 1.454g/cm³ （计算值）
• 沸点: 488.432°C at 760 mmHg （计算值）
• 闪点: 249.195°C （计算值）