毒毛旋花甙元 3-[(二甲基氨基)乙酸酯]
[CAS# 63979-67-9]

基本信息

• 产品名称: 毒毛旋花甙元 3-[(二甲基氨基)乙酸酯]
• 英文名: Strophanthidin 3-[(Dimethylamino)Acetate]
• 别名: 2-Dimethylaminoacetic 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-Dimethylaminoacetic 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-Dimethylaminoethanoate
• 分子式: C₂₇H₃₉NO₇
• 分子量: 489.61
• CAS 登录号: 63979-67-9
• 分子行输入简码 SMILES: [C@H]13[C@@H]([C@@]2([C@](O)(CC1)C[C@@H](OC(=O)CN(C)C)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/C27H39NO7/c1-24-8-5-20-21(27(24,33)11-7-19(24)17-12-22(30)34-15-17)6-10-26(32)13-18(4-9-25(20,26)16-29)35-23(31)14-28(2)3/h12,16,18-21,32-33H,4-11,13-15H2,1-3H3/t18-,19+,20-,21+,24+,25-,26-,27?/m0/s1
• 国际化学标识检索码 InChIKey: PRAYBZARQMSRQG-ASOFOFSQSA-N

物理化学性质

• 密度: 1.296g/cm³ （计算值）
• 沸点: 643.697°C at 760 mmHg （计算值）
• 闪点: 343.096°C （计算值）