26,44-Dibutoxy-6-methyl-13-[2-[4-methyl-2,5-di(tetradecoxy)phenyl]ethynyl]tridecacyclo[23.19.0.02,17.03,16.05,14.07,12.017,24.018,23.027,43.028,35.029,34.035,42.036,41]tetratetraconta-1(44),3,5,7,9,11,13,15,18,20,22,25,27(43),29,31,33,36,38,40-nonadecaene;10,12-dimethyl-11-thiahexacyclo[12.6.0.01,8.02,7.09,13.015,20]icosa-2,4,6,9,12,15,17,19-octaene

• 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: 26,44-Dibutoxy-6-methyl-13-[2-[4-methyl-2,5-di(tetradecoxy)phenyl]ethynyl]tridecacyclo[23.19.0.02,17.03,16.05,14.07,12.017,24.018,23.027,43.028,35.029,34.035,42.036,41]tetratetraconta-1(44),3,5,7,9,11,13,15,18,20,22,25,27(43),29,31,33,36,38,40-nonadecaene;10,12-dimethyl-11-thiahexacyclo[12.6.0.01,8.02,7.09,13.015,20]icosa-2,4,6,9,12,15,17,19-octaene
• 英文别名: 26,44-dibutoxy-6-methyl-13-[2-[4-methyl-2,5-di(tetradecoxy)phenyl]ethynyl]tridecacyclo[23.19.0.02,17.03,16.05,14.07,12.017,24.018,23.027,43.028,35.029,34.035,42.036,41]tetratetraconta-1(44),3,5,7,9,11,13,15,18,20,22,25,27(43),29,31,33,36,38,40-nonadecaene;10,12-dimethyl-11-thiahexacyclo[12.6.0.01,8.02,7.09,13.015,20]icosa-2,4,6,9,12,15,17,19-octaene
• 化学式: C111H122O4S
• 分子量: 1552.2
• InChiKey: VSIOBZAYNLNKIC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.56
• 重原子数：
  116
• 可旋转键数：
  38
• 环数：
  20.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  65.2
• 氢给体数：
  0
• 氢受体数：
  5