S-pyridin-2-yl (3S,5R,6R,9R,11R,15S,16S,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-15,16,18-trimethyl-33-[(2R,3S,4S,5S,6R)-6-methyl-3,5-bis(triethylsilyloxy)-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-13-oxo-3,5,6,9,11,17,37-heptakis(triethylsilyloxy)-14,39-dioxabicyclo[33.3.1]nonatriaconta-1(38),19,21,23,25,27,29,31-octaene-36-carbothioate | 127993-87-7

• 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: S-pyridin-2-yl (3S,5R,6R,9R,11R,15S,16S,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-15,16,18-trimethyl-33-[(2R,3S,4S,5S,6R)-6-methyl-3,5-bis(triethylsilyloxy)-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-13-oxo-3,5,6,9,11,17,37-heptakis(triethylsilyloxy)-14,39-dioxabicyclo[33.3.1]nonatriaconta-1(38),19,21,23,25,27,29,31-octaene-36-carbothioate
• CAS: 127993-87-7
• 化学式: C₁₀₈H₁₉₉F₃N₂O₁₆SSi₉
• 分子量: 2123.6
• InChiKey: HUJMAKINMPRFSV-AJQDRLCQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  31.13
• 重原子数：
  139
• 可旋转键数：
  51
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  221
• 氢给体数：
  1
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  甲基溴化镁 、 S-pyridin-2-yl (3S,5R,6R,9R,11R,15S,16S,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-15,16,18-trimethyl-33-[(2R,3S,4S,5S,6R)-6-methyl-3,5-bis(triethylsilyloxy)-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-13-oxo-3,5,6,9,11,17,37-heptakis(triethylsilyloxy)-14,39-dioxabicyclo[33.3.1]nonatriaconta-1(38),19,21,23,25,27,29,31-octaene-36-carbothioate 生成
  参考文献：
  名称：

  Driver, Michael J.; Greenlees, Alexander R.; MacPherson, David T., Journal of the Chemical Society. Perkin transactions I, 1992, # 23, p. 3155 - 3158

  摘要：

  DOI：
• 作为产物：
  描述：

  2-thiopyridyl chloroformate 、 (3S,5R,6R,9R,11R,15S,16S,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-15,16,18-trimethyl-33-[(2R,3S,4S,5S,6R)-6-methyl-3,5-bis(triethylsilyloxy)-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-13-oxo-3,5,6,9,11,17,37-heptakis(triethylsilyloxy)-14,39-dioxabicyclo[33.3.1]nonatriaconta-1(38),19,21,23,25,27,29,31-octaene-36-carboxylic acid 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 1.0h， 以76%的产率得到S-pyridin-2-yl (3S,5R,6R,9R,11R,15S,16S,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-15,16,18-trimethyl-33-[(2R,3S,4S,5S,6R)-6-methyl-3,5-bis(triethylsilyloxy)-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-13-oxo-3,5,6,9,11,17,37-heptakis(triethylsilyloxy)-14,39-dioxabicyclo[33.3.1]nonatriaconta-1(38),19,21,23,25,27,29,31-octaene-36-carbothioate
  参考文献：
  名称：

  Driver, Michael J.; Greenlees, Alexander R.; MacPherson, David T., Journal of the Chemical Society. Perkin transactions I, 1992, # 23, p. 3155 - 3158

  摘要：

  DOI：