45-(4-Hydroxy-1-methoxybutan-2-yl)-46,71-bis(hydroxymethyl)-39,43,51,73-tetraoxaoctadecacyclo[38.31.3.25,56.256,66.14,8.111,27.132,36.07,35.013,26.017,26.020,25.041,50.042,47.052,57.052,74.060,65.031,80.059,76]henoctaconta-1(71),4(81),5,7,9,11,18,20,22,24,27,29,31(80),33,41(50),42(47),45,48,54,60,62,64,66(75)-tricosaen-68-yne-38,44,72-trione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 45-(4-Hydroxy-1-methoxybutan-2-yl)-46,71-bis(hydroxymethyl)-39,43,51,73-tetraoxaoctadecacyclo[38.31.3.25,56.256,66.14,8.111,27.132,36.07,35.013,26.017,26.020,25.041,50.042,47.052,57.052,74.060,65.031,80.059,76]henoctaconta-1(71),4(81),5,7,9,11,18,20,22,24,27,29,31(80),33,41(50),42(47),45,48,54,60,62,64,66(75)-tricosaen-68-yne-38,44,72-trione
• 英文别名: 45-(4-hydroxy-1-methoxybutan-2-yl)-46,71-bis(hydroxymethyl)-39,43,51,73-tetraoxaoctadecacyclo[38.31.3.25,56.256,66.14,8.111,27.132,36.07,35.013,26.017,26.020,25.041,50.042,47.052,57.052,74.060,65.031,80.059,76]henoctaconta-1(71),4(81),5,7,9,11,18,20,22,24,27,29,31(80),33,41(50),42(47),45,48,54,60,62,64,66(75)-tricosaen-68-yne-38,44,72-trione
• 化学式: C₈₄H₇₈O₁₁
• 分子量: 1263.5
• InChiKey: KRTFGBDCWPTXPW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.7
• 重原子数：
  95
• 可旋转键数：
  7
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  158
• 氢给体数：
  3
• 氢受体数：
  11