[4-[4-[(4-Methoxyphenyl)-(25-pentadecacyclo[27.10.1.02,27.03,8.04,39.07,11.09,26.010,15.014,18.017,22.021,32.023,31.024,28.030,35.036,40]tetraconta-1,3(8),9(26),10(15),16,23,27,29(40),30-nonaenyl)methyl]phenoxy]phenyl]-(4-methylphenyl)methanone;propane-2,2-disulfonic acid

• 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: [4-[4-[(4-Methoxyphenyl)-(25-pentadecacyclo[27.10.1.02,27.03,8.04,39.07,11.09,26.010,15.014,18.017,22.021,32.023,31.024,28.030,35.036,40]tetraconta-1,3(8),9(26),10(15),16,23,27,29(40),30-nonaenyl)methyl]phenoxy]phenyl]-(4-methylphenyl)methanone;propane-2,2-disulfonic acid
• 英文别名: [4-[4-[(4-methoxyphenyl)-(25-pentadecacyclo[27.10.1.02,27.03,8.04,39.07,11.09,26.010,15.014,18.017,22.021,32.023,31.024,28.030,35.036,40]tetraconta-1,3(8),9(26),10(15),16,23,27,29(40),30-nonaenyl)methyl]phenoxy]phenyl]-(4-methylphenyl)methanone;propane-2,2-disulfonic acid
• 化学式: C71H64O9S2
• 分子量: 1125.4
• InChiKey: VWPAVOFRNXKRID-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.89
• 重原子数：
  82
• 可旋转键数：
  10
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  161
• 氢给体数：
  2
• 氢受体数：
  9