29-(4-Hydroxy-1-methoxybutan-2-yl)-30-(hydroxymethyl)-20-(1-hydroxypropan-2-ylidene)-22,27,35,84-tetraoxahenicosacyclo[65.9.3.312,24.336,49.210,13.214,17.161,65.04,9.05,77.016,51.018,53.023,36.025,34.026,31.037,49.039,48.040,45.054,58.054,62.070,78.073,77]nonaconta-4(9),5,7,14,16,25(34),26(31),29,32,40,42,44,46,59,61,63,65(80),67(79),68,70(78),71,81,87,89-tetracosaene-21,28,85-trione

• 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: 29-(4-Hydroxy-1-methoxybutan-2-yl)-30-(hydroxymethyl)-20-(1-hydroxypropan-2-ylidene)-22,27,35,84-tetraoxahenicosacyclo[65.9.3.312,24.336,49.210,13.214,17.161,65.04,9.05,77.016,51.018,53.023,36.025,34.026,31.037,49.039,48.040,45.054,58.054,62.070,78.073,77]nonaconta-4(9),5,7,14,16,25(34),26(31),29,32,40,42,44,46,59,61,63,65(80),67(79),68,70(78),71,81,87,89-tetracosaene-21,28,85-trione
• 英文别名: 29-(4-hydroxy-1-methoxybutan-2-yl)-30-(hydroxymethyl)-20-(1-hydroxypropan-2-ylidene)-22,27,35,84-tetraoxahenicosacyclo[65.9.3.312,24.336,49.210,13.214,17.161,65.04,9.05,77.016,51.018,53.023,36.025,34.026,31.037,49.039,48.040,45.054,58.054,62.070,78.073,77]nonaconta-4(9),5,7,14,16,25(34),26(31),29,32,40,42,44,46,59,61,63,65(80),67(79),68,70(78),71,81,87,89-tetracosaene-21,28,85-trione
• 化学式: C₉₅H₉₄O₁₁
• 分子量: 1411.8
• InChiKey: IVQDOUZBNHVNTJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  17.5
• 重原子数：
  106
• 可旋转键数：
  7
• 环数：
  25.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  158
• 氢给体数：
  3
• 氢受体数：
  11