(4R,5R,8R,9S,12S,23S,25R,26S,29S,33R,34R,37R,38S,41S,52S,55S,58S,59R)-5,9,23,26,29,34,38,52,55,58,62,62,66,66-tetradecamethyl-13,21,42,50-tetraoxa-16,17,18,45,46,47-hexazatridecacyclo[50.6.2.223,26.18,12.116,19.137,41.145,48.04,9.05,58.025,30.029,34.033,38.055,59]hexahexaconta-1,17,19(65),30,46,48(61)-hexaene-3,14,22,32,43,51-hexone | 1413920-83-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (4R,5R,8R,9S,12S,23S,25R,26S,29S,33R,34R,37R,38S,41S,52S,55S,58S,59R)-5,9,23,26,29,34,38,52,55,58,62,62,66,66-tetradecamethyl-13,21,42,50-tetraoxa-16,17,18,45,46,47-hexazatridecacyclo[50.6.2.223,26.18,12.116,19.137,41.145,48.04,9.05,58.025,30.029,34.033,38.055,59]hexahexaconta-1,17,19(65),30,46,48(61)-hexaene-3,14,22,32,43,51-hexone
• CAS: 1413920-83-8
• 化学式: C₇₀H₉₈N₆O₁₀
• 分子量: 1183.58
• InChiKey: OOVKRLNFOMEKGM-GADSORFASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.1
• 重原子数：
  86
• 可旋转键数：
  0
• 环数：
  21.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  201
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为反应物：
  描述：

  (4R,5R,8R,9S,12S,23S,25R,26S,29S,33R,34R,37R,38S,41S,52S,55S,58S,59R)-5,9,23,26,29,34,38,52,55,58,62,62,66,66-tetradecamethyl-13,21,42,50-tetraoxa-16,17,18,45,46,47-hexazatridecacyclo[50.6.2.223,26.18,12.116,19.137,41.145,48.04,9.05,58.025,30.029,34.033,38.055,59]hexahexaconta-1,17,19(65),30,46,48(61)-hexaene-3,14,22,32,43,51-hexone 、 四丁基氟化铵 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  A dual-responsive macrocycle based on glycyrrhetinic acid

  摘要：

  A glycyrrhetinic acid-based macrocycle was synthesized using CuAAC 'click chemistry' and it showed remarkable selectivity and affinity for F- ions, as well as He ions. During the dual-responsive recognition process, 1,2,3-triazole ring, carbonyl group, and glycyrrhetinic acid rigid skeleton play the significant roles in the ion binding. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.118
• 作为产物：
  描述：

  在 copper(ll) sulfate pentahydrate 、 sodium L-ascorbate 作用下， 以 四氢呋喃 、 甲醇 、 叔丁醇 为溶剂， 反应 6.0h， 以11%的产率得到(4R,5R,8R,9S,12S,23S,25R,26S,29S,33R,34R,37R,38S,41S,52S,55S,58S,59R)-5,9,23,26,29,34,38,52,55,58,62,62,66,66-tetradecamethyl-13,21,42,50-tetraoxa-16,17,18,45,46,47-hexazatridecacyclo[50.6.2.223,26.18,12.116,19.137,41.145,48.04,9.05,58.025,30.029,34.033,38.055,59]hexahexaconta-1,17,19(65),30,46,48(61)-hexaene-3,14,22,32,43,51-hexone
  参考文献：
  名称：

  A dual-responsive macrocycle based on glycyrrhetinic acid

  摘要：

  A glycyrrhetinic acid-based macrocycle was synthesized using CuAAC 'click chemistry' and it showed remarkable selectivity and affinity for F- ions, as well as He ions. During the dual-responsive recognition process, 1,2,3-triazole ring, carbonyl group, and glycyrrhetinic acid rigid skeleton play the significant roles in the ion binding. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.118