13,19,25,39,45,51,56,65-Octatert-butyl-3,6,9,29,32,35-hexaoxaundecacyclo[25.25.7.711,37.117,21.143,47.154,58.02,49.010,15.023,28.036,41.163,67]heptaconta-1,10(15),11,13,17(69),18,20,23(28),24,26,36,38,40,43(61),44,46,49,51,54,56,58(60),63,65,67(70)-tetracosaene-60,61,69,70-tetrol | 192319-04-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 13,19,25,39,45,51,56,65-Octatert-butyl-3,6,9,29,32,35-hexaoxaundecacyclo[25.25.7.711,37.117,21.143,47.154,58.02,49.010,15.023,28.036,41.163,67]heptaconta-1,10(15),11,13,17(69),18,20,23(28),24,26,36,38,40,43(61),44,46,49,51,54,56,58(60),63,65,67(70)-tetracosaene-60,61,69,70-tetrol
• CAS: 192319-04-3
• 化学式: C₉₆H₁₂₄O₁₀
• 分子量: 1438.03
• InChiKey: ISNNDFOJDGSROL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.5
• 重原子数：
  106
• 可旋转键数：
  8
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  136
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  碘乙烷 、 13,19,25,39,45,51,56,65-Octatert-butyl-3,6,9,29,32,35-hexaoxaundecacyclo[25.25.7.711,37.117,21.143,47.154,58.02,49.010,15.023,28.036,41.163,67]heptaconta-1,10(15),11,13,17(69),18,20,23(28),24,26,36,38,40,43(61),44,46,49,51,54,56,58(60),63,65,67(70)-tetracosaene-60,61,69,70-tetrol 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 13,19,25,39,45,51,56,65-Octatert-butyl-60,61,69,70-tetraethoxy-3,6,9,29,32,35-hexaoxaundecacyclo[25.25.7.711,37.117,21.143,47.154,58.02,49.010,15.023,28.036,41.163,67]heptaconta-1,10(15),11,13,17(69),18,20,23(28),24,26,36,38,40,43(61),44,46,49,51,54,56,58(60),63,65,67(70)-tetracosaene
  参考文献：
  名称：

  Geraci, Corrada; Bottino, Alessandra; Piattelli, Mario, Journal of the Chemical Society. Perkin Transactions 2 (2001), 2000, # 2, p. 185 - 187

  摘要：

  DOI：
• 作为产物：
  描述：

  二乙二醇双对甲苯磺酸酯 、 5,11,17,23,29,35,41,47-Octatert-butyl-50,53,56-trioxadecacyclo[23.23.9.13,7.19,13.115,19.127,31.133,37.139,43.021,57.045,49]trihexaconta-1(48),3,5,7(63),9,11,13(62),15(61),16,18,21,23,25(57),27,29,31(60),33(59),34,36,39(58),40,42,45(49),46-tetracosaene-58,59,60,61,62,63-hexol 在 sodium hydride 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 以85%的产率得到13,19,25,39,45,51,56,65-Octatert-butyl-3,6,9,29,32,35-hexaoxaundecacyclo[25.25.7.711,37.117,21.143,47.154,58.02,49.010,15.023,28.036,41.163,67]heptaconta-1,10(15),11,13,17(69),18,20,23(28),24,26,36,38,40,43(61),44,46,49,51,54,56,58(60),63,65,67(70)-tetracosaene-60,61,69,70-tetrol
  参考文献：
  名称：

  Cation encapsulation within a ten-oxygen spheroidal cavity of conformationally preorganized 1,5-3,7-calix[8]bis-crown-3 derivatives

  摘要：

  合成了构象预组装的D₂d对称的1,5-3,7-calix[8]bis-crown-3衍生物，能够以大小依赖的选择性封装阳离子。

  DOI：

  10.1039/a701114h