15-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-27-benzyl-31-hydroxy-7-methylspiro[9,12,16,36,40-pentaoxaicosacyclo[36.24.2.242,45.15,30.03,38.03,61.07,13.08,10.08,30.013,21.014,18.024,29.033,41.034,39.039,59.041,57.044,56.048,56.049,53.034,67]heptahexaconta-14,17,45,54,58,63,65-heptaen-22-yne-2,1'-cyclopentane]-11,32,37-trione

• 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: 15-[2-(1,2,3,6a,7,8,9,10,10a,10b-Decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-27-benzyl-31-hydroxy-7-methylspiro[9,12,16,36,40-pentaoxaicosacyclo[36.24.2.242,45.15,30.03,38.03,61.07,13.08,10.08,30.013,21.014,18.024,29.033,41.034,39.039,59.041,57.044,56.048,56.049,53.034,67]heptahexaconta-14,17,45,54,58,63,65-heptaen-22-yne-2,1'-cyclopentane]-11,32,37-trione
• 英文别名: 15-[2-(1,2,3,6a,7,8,9,10,10a,10b-decahydroimidazo[5,1-a]isoquinolin-8-yl)-3,4-dihydroxybutyl]-27-benzyl-31-hydroxy-7-methylspiro[9,12,16,36,40-pentaoxaicosacyclo[36.24.2.242,45.15,30.03,38.03,61.07,13.08,10.08,30.013,21.014,18.024,29.033,41.034,39.039,59.041,57.044,56.048,56.049,53.034,67]heptahexaconta-14,17,45,54,58,63,65-heptaen-22-yne-2,1'-cyclopentane]-11,32,37-trione
• 化学式: C₈₉H₁₀₀N₂O₁₁
• 分子量: 1373.7
• InChiKey: KIOMNUBJZXIILR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.5
• 重原子数：
  102
• 可旋转键数：
  7
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  13