10-[(1-Ethyl-2,5-dihydroxy-4-methylpyrrol-3-yl)methyl]-9-[[5-(2-hydroxyethoxycarbonyl)-10-[[10-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-11-oxatetracyclo[6.2.1.13,6.02,7]dodecan-9-yl]methyl]-11-oxatetracyclo[6.2.1.13,6.02,7]dodecan-9-yl]methyl]-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid

• 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: 10-[(1-Ethyl-2,5-dihydroxy-4-methylpyrrol-3-yl)methyl]-9-[[5-(2-hydroxyethoxycarbonyl)-10-[[10-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-11-oxatetracyclo[6.2.1.13,6.02,7]dodecan-9-yl]methyl]-11-oxatetracyclo[6.2.1.13,6.02,7]dodecan-9-yl]methyl]-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
• 英文别名: 10-[(1-ethyl-2,5-dihydroxy-4-methylpyrrol-3-yl)methyl]-9-[[5-(2-hydroxyethoxycarbonyl)-10-[[10-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-11-oxatetracyclo[6.2.1.13,6.02,7]dodecan-9-yl]methyl]-11-oxatetracyclo[6.2.1.13,6.02,7]dodecan-9-yl]methyl]-11-oxatetracyclo[6.2.1.13,6.02,7]dodecane-4-carboxylic acid
• 化学式: C₅₃H₇₃NO₁₂
• 分子量: 916.1
• InChiKey: QUMYCGZIELIEOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  66
• 可旋转键数：
  15
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  183
• 氢给体数：
  4
• 氢受体数：
  12