毒毛旋花甙元 3-[(二丙基氨基)乙酸酯]
[CAS# 63979-68-0]

基本信息

• 产品名称: 毒毛旋花甙元 3-[(二丙基氨基)乙酸酯]
• 英文名: Strophanthidin 3-[(Dipropylamino)Acetate]
• 别名: 2-(Dipropylamino)Acetic Acid [(3S,5S,8R,9S,10S,13R,17R)-10-Formyl-5,14-Dihydroxy-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; 2-(Dipropylamino)Acetic Acid [(3S,5S,8R,9S,10S,13R,17R)-10-Formyl-5,14-Dihydroxy-17-(5-Keto-2H-Furan-3-Yl)-13-Methyl-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] Ester; [(3S,5S,8R,9S,10S,13R,17R)-5,14-Dihydroxy-10-Methanoyl-13-Methyl-17-(5-Oxo-2H-Furan-3-Yl)-2,3,4,6,7,8,9,11,12,15,16,17-Dodecahydro-1H-Cyclopenta[A]Phenanthren-3-Yl] 2-(Dipropylamino)Ethanoate
• 分子式: C₃₁H₄₇NO₇
• 分子量: 545.71
• CAS 登录号: 63979-68-0
• 分子行输入简码 SMILES: [C@H]13[C@@H]([C@@]2([C@](O)(CC1)C[C@@H](OC(=O)CN(CCC)CCC)CC2)C=O)CC[C@]4(C3(O)CC[C@@H]4C5=CC(OC5)=O)C
• 国际化学标识码 InChI: 1S/C31H47NO7/c1-4-14-32(15-5-2)18-27(35)39-22-6-11-29(20-33)24-7-10-28(3)23(21-16-26(34)38-19-21)9-13-31(28,37)25(24)8-12-30(29,36)17-22/h16,20,22-25,36-37H,4-15,17-19H2,1-3H3/t22-,23+,24-,25+,28+,29-,30-,31?/m0/s1
• 国际化学标识检索码 InChIKey: RZZWDUSQRGKFEW-SMDIMHCVSA-N

物理化学性质

• 密度: 1.235g/cm³ （计算值）
• 沸点: 678.198°C at 760 mmHg （计算值）
• 闪点: 363.962°C （计算值）