(1S,3S,5R,6S,7S,8R,20S,22R,24R,25R,26S,27R,29S,31R,32R,33R)-7-hydroxy-5,24,31-trimethyl-33-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-20-pentyl-6,25,26,32-tetrakis(phenylmethoxy)-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-10-one | 173725-75-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (1S,3S,5R,6S,7S,8R,20S,22R,24R,25R,26S,27R,29S,31R,32R,33R)-7-hydroxy-5,24,31-trimethyl-33-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-20-pentyl-6,25,26,32-tetrakis(phenylmethoxy)-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-10-one
• CAS: 173725-75-2
• 化学式: C₈₉H₁₁₂O₁₈
• 分子量: 1469.86
• InChiKey: PZBAVJUQXBLRQY-GAISMQEQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.8
• 重原子数：
  107
• 可旋转键数：
  27
• 环数：
  12.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  185
• 氢给体数：
  1
• 氢受体数：
  18

反应信息

• 作为反应物：
  描述：

  (1S,3S,5R,6S,7S,8R,20S,22R,24R,25R,26S,27R,29S,31R,32R,33R)-7-hydroxy-5,24,31-trimethyl-33-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-20-pentyl-6,25,26,32-tetrakis(phenylmethoxy)-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-10-one 、 (R)-3-Benzyloxy-2-methyl-butyryl chloride 在 吡啶 作用下， 生成 [(1S,3S,5R,6R,7S,8R,20S,22R,24R,25R,26S,27R,29S,31R,32R,33R)-5,24,31-trimethyl-33-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-10-oxo-20-pentyl-6,25,26,32-tetrakis(phenylmethoxy)-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-7-yl] (2R,3R)-2-methyl-3-phenylmethoxybutanoate 、
  参考文献：
  名称：

  Jiang, Zi-Hua; Geyer, Armin; Schmidt, Richard R., Angewandte Chemie, 1995, vol. 107, # 22, p. 2730 - 2734

  摘要：

  DOI：
• 作为产物：
  描述：

  (1S,3S,5R,6R,7S,8R,20S,22R,24R,25R,26S,27R,29S,31R,32R,33R)-5,24,31-trimethyl-33-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-20-pentyl-6,25,26,32-tetrakis(phenylmethoxy)-7-prop-2-enoxy-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-10-one 在 Wilkinson's catalyst mercury dichloride 、 mercury(II) oxide 作用下， 生成 (1S,3S,5R,6S,7S,8R,20S,22R,24R,25R,26S,27R,29S,31R,32R,33R)-7-hydroxy-5,24,31-trimethyl-33-[(2S,3R,4R,5S,6S)-6-methyl-3,4,5-tris(phenylmethoxy)oxan-2-yl]oxy-20-pentyl-6,25,26,32-tetrakis(phenylmethoxy)-2,4,9,21,23,28,30-heptaoxatetracyclo[27.3.1.03,8.022,27]tritriacontan-10-one
  参考文献：
  名称：

  Jiang, Zi-Hua; Geyer, Armin; Schmidt, Richard R., Angewandte Chemie, 1995, vol. 107, # 22, p. 2730 - 2734

  摘要：

  DOI：