(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-3,5,6,9,11,17,37-heptahydroxy-1-methoxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid | 127970-85-8

• 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: (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-3,5,6,9,11,17,37-heptahydroxy-1-methoxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
• CAS: 127970-85-8
• 化学式: C₅₀H₇₄F₃NO₁₈
• 分子量: 1034.13
• InChiKey: DFKHVWBQCDPTDX-BMGFMOJCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  72
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.66
• 拓扑面积：
  312
• 氢给体数：
  11
• 氢受体数：
  21

反应信息

• 作为反应物：
  描述：

  三乙基硅基三氟甲磺酸酯 、 (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-3,5,6,9,11,17,37-heptahydroxy-1-methoxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid 在 2,6-二甲基吡啶 作用下， 以 正己烷 为溶剂， 反应 24.0h， 以61%的产率得到(1R,3S,5R,6R,9R,11R,15S,16S,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36S,37S)-1-methoxy-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-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
  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：

  甲醇 、 (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid 在 4-甲基苯磺酸吡啶 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 生成 (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-3,5-dihydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-3,5,6,9,11,17,37-heptahydroxy-1-methoxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
  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：

文献信息

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

  DOI：——

  日期：——