(1R,8S,11R,12R,15R,19R,21R,23R,24R,25S,26S,27S)-1-[(2S,3R)-4-amino-2,3-dimethylbutyl]-24-(tert-butyldimethylsilyl)oxy-8,12:12,15:15,19:21,25:21,26-pentaepoxy-11,23-dimethyl-6-methylene-2-oxo-11-(triethylsilyl)oxybicyclo[25.4.0]hentriacont-28-ene-29-carboxylic acid | 1075244-67-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: (1R,8S,11R,12R,15R,19R,21R,23R,24R,25S,26S,27S)-1-[(2S,3R)-4-amino-2,3-dimethylbutyl]-24-(tert-butyldimethylsilyl)oxy-8,12:12,15:15,19:21,25:21,26-pentaepoxy-11,23-dimethyl-6-methylene-2-oxo-11-(triethylsilyl)oxybicyclo[25.4.0]hentriacont-28-ene-29-carboxylic acid
• 英文别名: (1R,3R,7R,10R,11R,14S,21R,26S,27S,28S,29R,30R)-21-[(2S,3R)-4-amino-2,3-dimethylbutyl]-29-[tert-butyl(dimethyl)silyl]oxy-11,30-dimethyl-16-methylidene-20-oxo-11-triethylsilyloxy-32,33,34,35,36-pentaoxaheptacyclo[25.4.1.11,28.13,7.17,10.110,14.021,26]hexatriacont-24-ene-24-carboxylic acid
• CAS: 1075244-67-5
• 化学式: C₅₃H₉₁NO₁₀Si₂
• 分子量: 958.477
• InChiKey: AJTHXIIXSXLKDY-UIASOHBWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  11.75
• 重原子数：
  66
• 可旋转键数：
  13
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  145
• 氢给体数：
  2
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  (1R,8S,11R,12R,15R,19R,21R,23R,24R,25S,26S,27S)-1-[(2S,3R)-4-amino-2,3-dimethylbutyl]-24-(tert-butyldimethylsilyl)oxy-8,12:12,15:15,19:21,25:21,26-pentaepoxy-11,23-dimethyl-6-methylene-2-oxo-11-(triethylsilyl)oxybicyclo[25.4.0]hentriacont-28-ene-29-carboxylic acid 以 氯苯 为溶剂， 反应 18.0h， 以12%的产率得到(7S,10R,11R,14R,18R,20R,22R,23R,24S,25S,26S,31R,33S,34R)-23-(tert-butyldimethylsilyl)oxy-7,11:11,14:14,18:20,24:20,25-pentaepoxy-10,22,33,34-tetramethyl-5-methylene-10-(triethylsilyl)-oxy-36-azatricyclo[29.5.0.0(26,31)]hexatriaconta-27,36-diene-28-carboxylic acid
  参考文献：
  名称：

  品纳毒素A的全合成。

  摘要：

  DOI：

  10.1002/anie.200802729
• 作为产物：
  描述：

  (1R,8S,11R,12R,15R,19R,21R,23R,24R,25S,26S,27S)-1-[(2S,3R)-4-azido-2,3-dimethylbutyl]-24-(tert-butyldimethylsilyl)oxy-8,12:12,15:15,19:21,25:21,26-pentaepoxy-11,23-dimethyl-6-methylene-2-oxo-11-(triethylsilyl)oxybicyclo[25.4.0]hentriacont-28-ene-29-carboxylic acid 在 Lindlar's catalyst 、 氢气 作用下， 以 乙醇 为溶剂， 反应 36.0h， 以83%的产率得到(1R,8S,11R,12R,15R,19R,21R,23R,24R,25S,26S,27S)-1-[(2S,3R)-4-amino-2,3-dimethylbutyl]-24-(tert-butyldimethylsilyl)oxy-8,12:12,15:15,19:21,25:21,26-pentaepoxy-11,23-dimethyl-6-methylene-2-oxo-11-(triethylsilyl)oxybicyclo[25.4.0]hentriacont-28-ene-29-carboxylic acid
  参考文献：
  名称：

  品纳毒素A的全合成。

  摘要：

  DOI：

  10.1002/anie.200802729