[(17S)-17-[2-[4-[4-[二(2-氯乙基)氨基]苯基]丁酰基氧基]乙酰基]氧基-13-甲基-6,7,8,9,11,12,14,15,16,17-十氢环戊烯并[a]菲-3-基]苯甲酸酯
[CAS# 75219-46-4]

基本信息

• 产品名称: [(17S)-17-[2-[4-[4-[二(2-氯乙基)氨基]苯基]丁酰基氧基]乙酰基]氧基-13-甲基-6,7,8,9,11,12,14,15,16,17-十氢环戊烯并[a]菲-3-基]苯甲酸酯
• 英文名: [(17S)-17-[2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Acetyl]Oxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[a]Phenanthren-3-Yl] Benzoate
• 别名: Benzoic Acid [(17S)-17-[2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]-1-Oxobutoxy]-1-Oxoethoxy]-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; Benzoic Acid [(17S)-17-[2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Acetyl]Oxy-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Ester; [(17S)-17-[2-[4-[4-[Bis(2-Chloroethyl)Amino]Phenyl]Butanoyloxy]Ethanoyloxy]-13-Methyl-6,7,8,9,11,12,14,15,16,17-Decahydrocyclopenta[A]Phenanthren-3-Yl] Benzoate
• 分子式: C₄₁H₄₇Cl₂NO₆
• 分子量: 720.73
• CAS 登录号: 75219-46-4
• 分子行输入简码 SMILES: [C@@H]6(OC(=O)COC(=O)CCCC1=CC=C(N(CCCl)CCCl)C=C1)C5(C(C2C(C4=C(CC2)C=C(OC(=O)C3=CC=CC=C3)C=C4)CC5)CC6)C
• 国际化学标识码 InChI: 1S/C41H47Cl2NO6/c1-41-21-20-34-33-17-15-32(49-40(47)29-7-3-2-4-8-29)26-30(33)12-16-35(34)36(41)18-19-37(41)50-39(46)27-48-38(45)9-5-6-28-10-13-31(14-11-28)44(24-22-42)25-23-43/h2-4,7-8,10-11,13-15,17,26,34-37H,5-6,9,12,16,18-25,27H2,1H3/t34?,35?,36?,37-,41?/m0/s1
• 国际化学标识检索码 InChIKey: IFJUINDAXYAPTO-YEMMQMLISA-N

物理化学性质

• 密度: 1.279g/cm³ （计算值）
• 沸点: 804.261°C at 760 mmHg （计算值）
• 闪点: 440.201°C （计算值）