56,57,58,59,60-pentamethoxytridecacyclo[45.7.1.12,10.111,19.120,28.129,37.138,46.03,8.013,18.021,26.031,36.039,44.049,54]hexaconta-1(55),2(60),3,5,7,9,11,13,15,17,19(59),20(58),21,23,25,27,29,31,33,35,37(57),38(56),39,41,43,45,47,49,51,53-triacontaen-55-ol | 78229-13-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 56,57,58,59,60-pentamethoxytridecacyclo[45.7.1.12,10.111,19.120,28.129,37.138,46.03,8.013,18.021,26.031,36.039,44.049,54]hexaconta-1(55),2(60),3,5,7,9,11,13,15,17,19(59),20(58),21,23,25,27,29,31,33,35,37(57),38(56),39,41,43,45,47,49,51,53-triacontaen-55-ol
• CAS: 78229-13-7
• 化学式: C₆₅H₄₆O₆
• 分子量: 923.077
• InChiKey: PODWEQDLOSKWGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.96
• 重原子数：
  71.0
• 可旋转键数：
  5.0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  66.38
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  56,57,58,59,60-pentamethoxytridecacyclo[45.7.1.12,10.111,19.120,28.129,37.138,46.03,8.013,18.021,26.031,36.039,44.049,54]hexaconta-1(55),2(60),3,5,7,9,11,13,15,17,19(59),20(58),21,23,25,27,29,31,33,35,37(57),38(56),39,41,43,45,47,49,51,53-triacontaen-55-ol 、 硫酸二甲酯 在 sodium hydroxide 作用下， 以82%的产率得到sodium;55,56,57,58,59,60-hexamethoxytridecacyclo[45.7.1.12,10.111,19.120,28.129,37.138,46.03,8.013,18.021,26.031,36.039,44.049,54]hexaconta-1(55),2(60),3,5,7,9,11,13,15,17,19(59),20(58),21,23,25,27,29,31,33,35,37(57),38(56),39,41,43,45,47,49,51,53-triacontaene;methyl sulfate
  参考文献：
  名称：

  Synthesis and complexing properties of chiral macrocycles containing enforced cavities

  摘要：

  DOI：

  10.1021/ja00403a056
• 作为产物：
  描述：

  (R)-3,3'-二溴-2,2'-二甲氧基-1,1'-联萘 、 仲丁基锂 、 Tris(2,4-pentanedionato)iron(III) 生成 56,57,58,59,60-pentamethoxytridecacyclo[45.7.1.12,10.111,19.120,28.129,37.138,46.03,8.013,18.021,26.031,36.039,44.049,54]hexaconta-1(55),2(60),3,5,7,9,11,13,15,17,19(59),20(58),21,23,25,27,29,31,33,35,37(57),38(56),39,41,43,45,47,49,51,53-triacontaen-55-ol
  参考文献：
  名称：

  HELGESON, R. C.;MAZALEYTAT, J. -P.;CRAM, D. J., J. AMER. CHEM. SOC., 1981, 103, N 13, 3929-3931

  摘要：

  DOI：