2-(2,5-Dibromothiophen-3-yl)ethyl 4-(32-phenyl-32-heptadecacyclo[10.8.8.813,17.48,28.15,23.04,22.08,31.09,29.016,40.020,35.021,36.024,37.025,30.026,38.027,41.031,33.034,39]hentetraconta-5(33),16,21,23,25,27,29,34(39),35,37,40-undecaenyl)butanoate

• 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: 2-(2,5-Dibromothiophen-3-yl)ethyl 4-(32-phenyl-32-heptadecacyclo[10.8.8.813,17.48,28.15,23.04,22.08,31.09,29.016,40.020,35.021,36.024,37.025,30.026,38.027,41.031,33.034,39]hentetraconta-5(33),16,21,23,25,27,29,34(39),35,37,40-undecaenyl)butanoate
• 英文别名: 2-(2,5-dibromothiophen-3-yl)ethyl 4-(32-phenyl-32-heptadecacyclo[10.8.8.813,17.48,28.15,23.04,22.08,31.09,29.016,40.020,35.021,36.024,37.025,30.026,38.027,41.031,33.034,39]hentetraconta-5(33),16,21,23,25,27,29,34(39),35,37,40-undecaenyl)butanoate
• 化学式: C₅₇H₄₂Br₂O₂S
• 分子量: 950.8
• InChiKey: KUJFEMGWKDEERA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.5
• 重原子数：
  62
• 可旋转键数：
  9
• 环数：
  19.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  3