(1S,2S,3S,5R,6R,7R)-5-[(E)-4-乙酰氧基-5-甲基-8-苯基辛-7-烯基]-7-癸酰氧基-2,6-二羟基-4,8-二氧杂双环[3.2.1]辛烷-1,2,3-三羧酸
[CAS# 155179-15-0]

基本信息

• 产品名称: (1S,2S,3S,5R,6R,7R)-5-[(E)-4-乙酰氧基-5-甲基-8-苯基辛-7-烯基]-7-癸酰氧基-2,6-二羟基-4,8-二氧杂双环[3.2.1]辛烷-1,2,3-三羧酸
• 英文名: (1S,2S,3S,5R,6R,7R)-5-[(E)-4-Acetyloxy-5-Methyl-8-Phenyloct-7-Enyl]-7-Decanoyloxy-2,6-Dihydroxy-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid
• 别名: (1S,2S,3S,5R,6R,7R)-5-[(E)-4-Acetoxy-5-Methyl-8-Phenyl-Oct-7-Enyl]-7-Decanoyloxy-2,6-Dihydroxy-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid; (1S,2S,3S,5R,6R,7R)-5-[(E)-4-Acetoxy-5-Methyl-8-Phenyloct-7-Enyl]-2,6-Dihydroxy-7-(1-Oxodecoxy)-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid; (1S,2S,3S,5R,6R,7R)-5-[(E)-4-Acetoxy-5-Methyl-8-Phenyl-Oct-7-Enyl]-7-Capryloxy-2,6-Dihydroxy-4,8-Dioxabicyclo[3.2.1]Octane-1,2,3-Tricarboxylic Acid
• 分子式: C₃₆H₅₀O₁₄
• 分子量: 706.78
• CAS 登录号: 155179-15-0
• 分子行输入简码 SMILES: [C@]12(O[C@@](O[C@@H]([C@@]1(O)C(=O)O)C(=O)O)([C@H](O)[C@H]2OC(=O)CCCCCCCCC)CCCC(OC(=O)C)C(C\C=C\C3=CC=CC=C3)C)C(=O)O
• 国际化学标识码 InChI: 1S/C36H50O14/c1-4-5-6-7-8-9-13-21-27(38)48-29-28(39)34(49-30(31(40)41)35(46,32(42)43)36(29,50-34)33(44)45)22-15-20-26(47-24(3)37)23(2)16-14-19-25-17-11-10-12-18-25/h10-12,14,17-19,23,26,28-30,39,46H,4-9,13,15-16,20-22H2,1-3H3,(H,40,41)(H,42,43)(H,44,45)/b19-14+/t23?,26?,28-,29-,30-,34-,35-,36-/m1/s1
• 国际化学标识检索码 InChIKey: WDLYATMIWWDJQY-GWDLGUPBSA-N

物理化学性质

• 密度: 1.331g/cm³ （计算值）
• 沸点: 834.809°C at 760 mmHg （计算值）
• 闪点: 252.666°C （计算值）