3,6,9,23,26,29,32,35,38,52,55,58,72,75,78,81,84,87-Octadecaoxatridecacyclo[68.28.1.111,40.121,50.160,89.02,95.010,15.017,22.039,44.046,51.059,64.066,71.088,93]dohecta-1(98),2(95),10(15),11,13,17(22),18,20,39,41,43,46,48,50,59,61,63,66,68,70,88(93),89,91,96-tetracosaene

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,6,9,23,26,29,32,35,38,52,55,58,72,75,78,81,84,87-Octadecaoxatridecacyclo[68.28.1.111,40.121,50.160,89.02,95.010,15.017,22.039,44.046,51.059,64.066,71.088,93]dohecta-1(98),2(95),10(15),11,13,17(22),18,20,39,41,43,46,48,50,59,61,63,66,68,70,88(93),89,91,96-tetracosaene
• 化学式: C₈₄H₉₆O₁₈
• 分子量: 1393.68
• InChiKey: GEEAOWXVFOMNGJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.8
• 重原子数：
  102
• 可旋转键数：
  0
• 环数：
  14.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  166
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  calix<4>crown-6 、 25,27-bis(5-p-toluenesulfonyloxy-3-oxapentyl-oxy)calix[4]arene crown-6 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 反应 24.0h， 以20%的产率得到3,6,9,23,26,29,32,35,38,52,55,58,72,75,78,81,84,87-Octadecaoxatridecacyclo[68.28.1.111,40.121,50.160,89.02,95.010,15.017,22.039,44.046,51.059,64.066,71.088,93]dohecta-1(98),2(95),10(15),11,13,17(22),18,20,39,41,43,46,48,50,59,61,63,66,68,70,88(93),89,91,96-tetracosaene
  参考文献：
  名称：

  Modular chemistry. Double- and multi-1,3-alternate-calixcrowns

  摘要：

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(02)02657-6

文献信息

• Modular chemistry. Double- and multi-1,3-alternate-calixcrowns
  作者：Sung Kuk Kim、Wonbo Sim、Jacques Vicens、Jong Seung Kim

  DOI：10.1016/s0040-4039(02)02657-6

  日期：2003.1

  Double- and multi-1,3-alternate-calixcrowns were prepared by multistep syntheses. (C) 2003 Elsevier Science Ltd. All rights reserved.