1-(35,57,79-Triacetyl-7,10,16,19,29,32,38,41,51,54,60,63,73,76,82,85-hexadecaoxa-2,13,24,35,46,57,68,79,89,90,91,92-dodecazatridecacyclo[67.19.1.13,23.125,45.147,67.04,22.06,20.026,44.028,42.048,66.050,64.070,88.072,86]dononaconta-1,3,5,20,22,24,26,28(42),43,45(91),46,48,50(64),65,67,69(89),70,72(86),87-nonadecaen-13-yl)ethanone | 135733-27-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: 1-(35,57,79-Triacetyl-7,10,16,19,29,32,38,41,51,54,60,63,73,76,82,85-hexadecaoxa-2,13,24,35,46,57,68,79,89,90,91,92-dodecazatridecacyclo[67.19.1.13,23.125,45.147,67.04,22.06,20.026,44.028,42.048,66.050,64.070,88.072,86]dononaconta-1,3,5,20,22,24,26,28(42),43,45(91),46,48,50(64),65,67,69(89),70,72(86),87-nonadecaen-13-yl)ethanone
• CAS: 135733-27-6
• 化学式: C₇₂H₈₆N₁₂O₂₀
• 分子量: 1439.54
• InChiKey: IWGSTYBKHXIQQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  104
• 可旋转键数：
  0
• 环数：
  13.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  338
• 氢给体数：
  2
• 氢受体数：
  26

反应信息

• 作为反应物：
  描述：

  1-(35,57,79-Triacetyl-7,10,16,19,29,32,38,41,51,54,60,63,73,76,82,85-hexadecaoxa-2,13,24,35,46,57,68,79,89,90,91,92-dodecazatridecacyclo[67.19.1.13,23.125,45.147,67.04,22.06,20.026,44.028,42.048,66.050,64.070,88.072,86]dononaconta-1,3,5,20,22,24,26,28(42),43,45(91),46,48,50(64),65,67,69(89),70,72(86),87-nonadecaen-13-yl)ethanone 在 硫酸 作用下， 反应 5.0h， 以47%的产率得到
  参考文献：
  名称：

  Musluoglu, Emel; Ahsen, Vefa; Guel, Ahmet, Chemische Berichte, 1991, vol. 124, # 11, p. 2531 - 2536

  摘要：

  DOI：
• 作为产物：
  描述：

  7-acetyl-15,16-dicyano-2,3,5,6,8,9,11,12-octahydro-5H-benzo<1,4,7,10,13>tetraoxazacyclopentadecine 在 对苯二酚 作用下， 反应 7.0h， 以27%的产率得到1-(35,57,79-Triacetyl-7,10,16,19,29,32,38,41,51,54,60,63,73,76,82,85-hexadecaoxa-2,13,24,35,46,57,68,79,89,90,91,92-dodecazatridecacyclo[67.19.1.13,23.125,45.147,67.04,22.06,20.026,44.028,42.048,66.050,64.070,88.072,86]dononaconta-1,3,5,20,22,24,26,28(42),43,45(91),46,48,50(64),65,67,69(89),70,72(86),87-nonadecaen-13-yl)ethanone
  参考文献：
  名称：

  Musluoglu, Emel; Ahsen, Vefa; Guel, Ahmet, Chemische Berichte, 1991, vol. 124, # 11, p. 2531 - 2536

  摘要：

  DOI：