毒毛旋花甙元 3-[(二乙基氨基)乙酸酯]
[CAS# 63979-66-8]

基本信息

• 产品名称: 毒毛旋花甙元 3-[(二乙基氨基)乙酸酯]
• 英文名: Strophanthidin 3-[(Diethylamino)Acetate]
• 别名: 2-Diethylaminoacetic Acid [(3S,5S,10S,13R,14S,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-Diethylaminoacetic Acid [(3S,5S,10S,13R,14S,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,10S,13R,14S,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-Diethylaminoethanoate
• 分子式: C₂₉H₄₃NO₇
• 分子量: 517.66
• CAS 登录号: 63979-66-8
• 分子行输入简码 SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@](O)(CC1)C[C@@H](OC(=O)CN(CC)CC)CC2)C=O)CC3)CC[C@@H]4C5=CC(OC5)=O)C
• 国际化学标识码 InChI: 1S/C29H43NO7/c1-4-30(5-2)16-25(33)37-20-6-11-27(18-31)22-7-10-26(3)21(19-14-24(32)36-17-19)9-13-29(26,35)23(22)8-12-28(27,34)15-20/h14,18,20-23,34-35H,4-13,15-17H2,1-3H3/t20-,21+,22?,23?,26+,27-,28-,29-/m0/s1
• 国际化学标识检索码 InChIKey: INBSTAZMSSCMKU-DLYQOUECSA-N

物理化学性质

• 密度: 1.263g/cm³ （计算值）
• 沸点: 660.86°C at 760 mmHg （计算值）
• 闪点: 353.476°C （计算值）