毒毛旋花甙元 3-溴乙酸酯
[CAS# 4956-18-7]

基本信息

• 产品名称: 毒毛旋花甙元 3-溴乙酸酯
• 英文名: Strophanthidin 3-Bromoacetate
• 别名: 2-Bromoacetic 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-Bromoacetic 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-Bromoethanoate
• 分子式: C₂₅H₃₃BrO₇
• 分子量: 525.44
• CAS 登录号: 4956-18-7
• 分子行输入简码 SMILES: [C@]34([C@@](O)(C1C([C@@]2([C@](O)(CC1)C[C@@H](OC(=O)CBr)CC2)C=O)CC3)CC[C@@H]4C5=CC(OC5)=O)C
• 国际化学标识码 InChI: 1S/C25H33BrO7/c1-22-6-3-18-19(25(22,31)9-5-17(22)15-10-20(28)32-13-15)4-8-24(30)11-16(33-21(29)12-26)2-7-23(18,24)14-27/h10,14,16-19,30-31H,2-9,11-13H2,1H3/t16-,17+,18?,19?,22+,23-,24-,25-/m0/s1
• 国际化学标识检索码 InChIKey: HQEHABLFHCPQHP-IFZLVPIESA-N

物理化学性质

• 密度: 1.491g/cm³ （计算值）
• 沸点: 653.792°C at 760 mmHg （计算值）
• 闪点: 349.201°C （计算值）