4-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-2-yl)-14,16-dihydroxy-17-(hydroxymethyl)-12-[[4-(2-methoxyethyl)phenyl]methyl]-18,24,27,30-tetramethyl-32-propyl-13-oxaoctacyclo[21.7.1.111,14.01,20.08,18.08,30.011,17.027,31]dotriacont-6-yne-24-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: 4-(1,2,3,4,4a,5,6,7,8,8a-Decahydronaphthalen-2-yl)-14,16-dihydroxy-17-(hydroxymethyl)-12-[[4-(2-methoxyethyl)phenyl]methyl]-18,24,27,30-tetramethyl-32-propyl-13-oxaoctacyclo[21.7.1.111,14.01,20.08,18.08,30.011,17.027,31]dotriacont-6-yne-24-carboxylic acid
• 英文别名: 4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-14,16-dihydroxy-17-(hydroxymethyl)-12-[[4-(2-methoxyethyl)phenyl]methyl]-18,24,27,30-tetramethyl-32-propyl-13-oxaoctacyclo[21.7.1.111,14.01,20.08,18.08,30.011,17.027,31]dotriacont-6-yne-24-carboxylic acid
• 化学式: C₆₀H₈₈O₇
• 分子量: 921.3
• InChiKey: GQFWMIPDTKFDME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.7
• 重原子数：
  67
• 可旋转键数：
  10
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  116
• 氢给体数：
  4
• 氢受体数：
  7