3-[[5-[[4-[[5-[(3-carboxy-1,5-dimethoxy-1,5-dioxopentan-2-yl)oxymethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-3-(carboxymethyl)-1-methoxy-1,4-dioxobutan-2-yl]oxymethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxycarbonyl]-4-[[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-5-methoxy-5-oxopentanoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-[[5-[[4-[[5-[(3-carboxy-1,5-dimethoxy-1,5-dioxopentan-2-yl)oxymethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxy]-3-(carboxymethyl)-1-methoxy-1,4-dioxobutan-2-yl]oxymethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-1-yl]methoxycarbonyl]-4-[[5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]methoxy]-5-methoxy-5-oxopentanoic acid
• 化学式: C₆₇H₁₀₀O₂₂
• 分子量: 1257.5
• InChiKey: DRQRWIRTQLEHLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  89
• 可旋转键数：
  35
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  318
• 氢给体数：
  4
• 氢受体数：
  22