2-[3-Cyclohexyl-5-(4-hydroxyoxan-4-yl)phenyl]-2-[23-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-3',11-dihydroxy-5,9,23,27-tetramethyl-5-[2-(methylamino)ethyl]-6,25-dioxospiro[14,18-diazaoctacyclo[20.5.4.112,24.114,17.01,10.04,9.020,33.027,32]tritriaconta-15,17(33),19,24(32)-tetraen-29-yne-8,1'-cyclopentane]-16-yl]acetaldehyde

• 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: 2-[3-Cyclohexyl-5-(4-hydroxyoxan-4-yl)phenyl]-2-[23-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-3',11-dihydroxy-5,9,23,27-tetramethyl-5-[2-(methylamino)ethyl]-6,25-dioxospiro[14,18-diazaoctacyclo[20.5.4.112,24.114,17.01,10.04,9.020,33.027,32]tritriaconta-15,17(33),19,24(32)-tetraen-29-yne-8,1'-cyclopentane]-16-yl]acetaldehyde
• 英文别名: 2-[3-cyclohexyl-5-(4-hydroxyoxan-4-yl)phenyl]-2-[23-[2-(3,3-dimethyloxiran-2-yl)-2-hydroxyethyl]-3',11-dihydroxy-5,9,23,27-tetramethyl-5-[2-(methylamino)ethyl]-6,25-dioxospiro[14,18-diazaoctacyclo[20.5.4.112,24.114,17.01,10.04,9.020,33.027,32]tritriaconta-15,17(33),19,24(32)-tetraen-29-yne-8,1'-cyclopentane]-16-yl]acetaldehyde
• 化学式: C₆₇H₈₉N₃O₉
• 分子量: 1080.4
• InChiKey: COOFBIGAKUBZHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  79
• 可旋转键数：
  11
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  187
• 氢给体数：
  6
• 氢受体数：
  10