(2R,3S,5R,6R)-3-methoxycarbonyl-5-[(4-methoxyphenyl)methoxycarbonyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylic acid;5-O-[(4-methoxyphenyl)methyl] 2-O,3-O-dimethyl (2R,3S,5R,6R)-6-methylbicyclo[2.2.1]heptane-2,3,5-tricarboxylate;(4-methoxyphenyl)methyl (2R,6S,8R,9R)-9-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate

• 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: (2R,3S,5R,6R)-3-methoxycarbonyl-5-[(4-methoxyphenyl)methoxycarbonyl]-6-methylbicyclo[2.2.1]heptane-2-carboxylic acid;5-O-[(4-methoxyphenyl)methyl] 2-O,3-O-dimethyl (2R,3S,5R,6R)-6-methylbicyclo[2.2.1]heptane-2,3,5-tricarboxylate;(4-methoxyphenyl)methyl (2R,6S,8R,9R)-9-methyl-3,5-dioxo-4-oxatricyclo[5.2.1.02,6]decane-8-carboxylate
• 化学式: C60H70O20
• 分子量: 1111.2
• InChiKey: YZVVYARPDXUYSD-QKQWDSMDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.31
• 重原子数：
  80
• 可旋转键数：
  22
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  266
• 氢给体数：
  1
• 氢受体数：
  20