4-(羧基甲硫基)睾酮
[CAS# 70838-03-8]

基本信息

• 产品名称: 4-(羧基甲硫基)睾酮
• 英文名: 4-(Carboxymethylmercapto)Testosterone
• 别名: 2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-4-Yl]Thio]Acetic Acid; 2-[[(10R,13S,17S)-17-Hydroxy-3-Keto-10,13-Dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-4-Yl]Thio]Acetic Acid; 2-[[(10R,13S,17S)-17-Hydroxy-10,13-Dimethyl-3-Oxo-1,2,6,7,8,9,11,12,14,15,16,17-Dodecahydrocyclopenta[A]Phenanthren-4-Yl]Sulfanyl]Ethanoic Acid
• 分子式: C₂₁H₃₀O₄S
• 分子量: 378.53
• CAS 登录号: 70838-03-8
• 分子行输入简码 SMILES: [C@]34(C2C(C1[C@@]([C@@H](O)CC1)(CC2)C)CCC3=C(SCC(=O)O)C(=O)CC4)C
• 国际化学标识码 InChI: 1S/C21H30O4S/c1-20-10-8-16(22)19(26-11-18(24)25)15(20)4-3-12-13-5-6-17(23)21(13,2)9-7-14(12)20/h12-14,17,23H,3-11H2,1-2H3,(H,24,25)/t12?,13?,14?,17-,20+,21-/m0/s1
• 国际化学标识检索码 InChIKey: XJAHBTGAKFTOBY-YYDIIAORSA-N

物理化学性质

• 密度: 1.273g/cm³ （计算值）
• 沸点: 573.051°C at 760 mmHg （计算值）
• 闪点: 300.371°C （计算值）