8-[5-Tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5-dimethyl-25,32-diphenyl-20,37-di(propan-2-yl)undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18,20,22,24,26,28,30,32,34,36,39-icosaene | 1425378-53-5

• 分子结构分类: 有机化合物 - 木脂素、新木脂素和相关化合物 - 芳基萘木脂素
• 英文名称: 8-[5-Tert-butyl-2-(4-tert-butylphenyl)phenyl]-5,5-dimethyl-25,32-diphenyl-20,37-di(propan-2-yl)undecacyclo[19.17.2.12,13.04,12.06,11.018,39.022,35.024,33.026,31.036,40.017,41]hentetraconta-1(38),2,4(12),6(11),7,9,13,15,17(41),18,20,22,24,26,28,30,32,34,36,39-icosaene
• CAS: 1425378-53-5
• 化学式: C₈₁H₇₀
• 分子量: 1043.45
• InChiKey: PQCHVIFCMIZHSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  23.9
• 重原子数：
  81
• 可旋转键数：
  8
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0