Trimethyl 46-hydroxy-7,10,13,16,19,24,29,32,35,38,41,50,53,56,59,62,67,70-octadecamethyl-47-oxo-3,26,45,68-tetraoxaheptadecacyclo[40.28.0.02,27.04,25.06,23.07,20.010,19.011,16.028,41.029,38.032,37.044,69.046,67.049,66.050,63.053,62.054,59]heptaconta-1(70),4(25),5,23,42,44(69),48,63,65-nonaene-13,35,56-tricarboxylate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Trimethyl 46-hydroxy-7,10,13,16,19,24,29,32,35,38,41,50,53,56,59,62,67,70-octadecamethyl-47-oxo-3,26,45,68-tetraoxaheptadecacyclo[40.28.0.02,27.04,25.06,23.07,20.010,19.011,16.028,41.029,38.032,37.044,69.046,67.049,66.050,63.053,62.054,59]heptaconta-1(70),4(25),5,23,42,44(69),48,63,65-nonaene-13,35,56-tricarboxylate
• 英文别名: trimethyl 46-hydroxy-7,10,13,16,19,24,29,32,35,38,41,50,53,56,59,62,67,70-octadecamethyl-47-oxo-3,26,45,68-tetraoxaheptadecacyclo[40.28.0.02,27.04,25.06,23.07,20.010,19.011,16.028,41.029,38.032,37.044,69.046,67.049,66.050,63.053,62.054,59]heptaconta-1(70),4(25),5,23,42,44(69),48,63,65-nonaene-13,35,56-tricarboxylate
• 化学式: C₉₀H₁₂₂O₁₂
• 分子量: 1395.9
• InChiKey: JLPOAWQKWHTKBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  21.2
• 重原子数：
  102
• 可旋转键数：
  6
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  153
• 氢给体数：
  1
• 氢受体数：
  12