二氢乌本苷
[CAS# 1183-35-3]

基本信息

• 产品名称: 二氢乌本苷
• 英文名: Dihydroouabain
• 别名: 4-[(1R,3S,5S,10R,13R,14S)-1,5,11,14-Tetrahydroxy-10-(Hydroxymethyl)-13-Methyl-3-[(2S,5R)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Tetrahydrofuran-2-One; 4-[(1R,3S,5S,10R,13R,14S)-1,5,11,14-Tetrahydroxy-10-(Hydroxymethyl)-13-Methyl-3-[[(2S,5R)-3,4,5-Trihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]-2-Tetrahydrofuranone; 4-[(1R,3S,5S,10R,13R,14S)-1,5,11,14-Tetrahydroxy-13-Methyl-10-Methylol-3-[(2S,5R)-3,4,5-Trihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Tetrahydrofuran-2-One
• 分子式: C₂₉H₄₆O₁₂
• 分子量: 586.68
• CAS 登录号: 1183-35-3
• EINECS 登录号: 214-663-0
• 分子行输入简码 SMILES: [C@]26(C(C1COC(C1)=O)CC[C@@]2(C5C([C@@]3([C@@](C[C@H](C[C@H]3O)O[C@H]4OC([C@@H](C(C4O)O)O)C)(CC5)O)CO)C(C6)O)O)C
• 国际化学标识码 InChI: 1S/C29H46O12/c1-13-22(34)23(35)24(36)25(40-13)41-15-8-19(32)28(12-30)21-17(3-5-27(28,37)9-15)29(38)6-4-16(14-7-20(33)39-11-14)26(29,2)10-18(21)31/h13-19,21-25,30-32,34-38H,3-12H2,1-2H3/t13?,14?,15-,16?,17?,18?,19+,21?,22-,23?,24?,25+,26+,27-,28+,29-/m0/s1
• 国际化学标识检索码 InChIKey: ZTFGOPUOTATSAL-CRKFRBKKSA-N

物理化学性质

• 密度: 1.496g/cm³ （计算值）
• 沸点: 827.723°C at 760 mmHg （计算值）
• 闪点: 268.458°C （计算值）