methyl (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-17,37-dioxo-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 | 105172-37-0

• 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,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-17,37-dioxo-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: 105172-37-0；105227-83-6
• 化学式: C₆₇H₁₁₄O₁₄Si₃
• 分子量: 1227.89
• InChiKey: HUQNJECSYYWJLF-MVNKGZECSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  15.53
• 重原子数：
  84
• 可旋转键数：
  12
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  153
• 氢给体数：
  0
• 氢受体数：
  14

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,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-17,37-dioxo-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 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 0.25h， 生成 methyl (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,37R,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-37-hydroxy-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：

  Chemistry of amphotericin B. Degradation studies and preparation of amphoteronolide B

  摘要：

  DOI：

  10.1021/ja00222a027
• 作为产物：
  描述：

  两性霉素B 生成 methyl (1R,3S,7R,8R,11R,15R,19S,20S,21R,22S,23E,25E,27E,29E,31E,33E,35E,39S,40S,41S)-8,21,41-tris[[tert-butyl(dimethyl)silyl]oxy]-1-methoxy-5,5,13,13,19,20,22-heptamethyl-17,37-dioxo-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：

  A synthesis of 19-dehydroamphoteronolide b.

  摘要：

  DOI：

  10.1016/s0040-4039(00)80119-7

文献信息

• NICOLAOU, K. C.;CHAKROBORTY, T. K.;OGAWA, Y.;DAINES, R. A.;SIMPKINS, N. S+, J. AMER. CHEM. SOC., 110,(1988) N 14, 4660-4672
  作者：NICOLAOU, K. C.、CHAKROBORTY, T. K.、OGAWA, Y.、DAINES, R. A.、SIMPKINS, N. S+

  DOI：——

  日期：——