28,32,32-Trimethyl-2,15,24,36,38-pentaoxanonacyclo[20.17.2.216,19.13,7.110,14.023,39.025,37.026,35.028,33]pentatetraconta-1(39),3,5,7(45),10(44),11,13,16,18,22,26(35),40,42-tridecaen-13-ol

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物
• 英文名称: 28,32,32-Trimethyl-2,15,24,36,38-pentaoxanonacyclo[20.17.2.216,19.13,7.110,14.023,39.025,37.026,35.028,33]pentatetraconta-1(39),3,5,7(45),10(44),11,13,16,18,22,26(35),40,42-tridecaen-13-ol
• 英文别名: 28,32,32-trimethyl-2,15,24,36,38-pentaoxanonacyclo[20.17.2.216,19.13,7.110,14.023,39.025,37.026,35.028,33]pentatetraconta-1(39),3,5,7(45),10(44),11,13,16,18,22,26(35),40,42-tridecaen-13-ol
• 化学式: C₄₃H₄₄O₆
• 分子量: 656.8
• InChiKey: FPRZWOWZQKSYNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  49
• 可旋转键数：
  0
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  66.4
• 氢给体数：
  1
• 氢受体数：
  6