methyl (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,37R,39S,40S,41S)-37-[(2R,3S,4R,5S,6R)-4-azido-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-17-oxo-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-40-carboxylate | 107657-11-4

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: methyl (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,37R,39S,40S,41S)-37-[(2R,3S,4R,5S,6R)-4-azido-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-17-oxo-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-40-carboxylate
• CAS: 107657-11-4
• 化学式: C₇₉H₁₃₉N₃O₁₇Si₄
• 分子量: 1515.32
• InChiKey: WQNLFOIWSUPNJT-PLYVOOPHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  18.52
• 重原子数：
  103
• 可旋转键数：
  18
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  198
• 氢给体数：
  1
• 氢受体数：
  19

反应信息

• 作为反应物：
  描述：

  methyl (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,37R,39S,40S,41S)-37-[(2R,3S,4R,5S,6R)-4-azido-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-17-oxo-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-40-carboxylate 在 氟化氢吡啶 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以50%的产率得到
  参考文献：
  名称：

  Total synthesis of amphotericin B

  摘要：

  DOI：

  10.1021/ja00243a043
• 作为产物：
  描述：

  在 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 0.08h， 生成 methyl (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,37R,39S,40S,41S)-37-[(2R,3S,4R,5S,6R)-4-azido-5-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-6-methyloxan-2-yl]oxy-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-17-oxo-4,6,12,14,18,43-hexaoxatetracyclo[37.3.1.13,7.111,15]pentatetraconta-23,25,27,29,31,33,35-heptaene-40-carboxylate
  参考文献：
  名称：

  Total synthesis of amphotericin B

  摘要：

  DOI：

  10.1021/ja00243a043