[(1S,6S,7R,8R,8aR)-6,8-dibenzoyloxy-7-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] benzoate | 121105-01-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: [(1S,6S,7R,8R,8aR)-6,8-dibenzoyloxy-7-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] benzoate
• CAS: 121105-01-9
• 化学式: C₆₃H₆₁NO₁₂
• 分子量: 1024.18
• InChiKey: KZCDNWVJVPFEGA-ALBYRBIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.4
• 重原子数：
  76
• 可旋转键数：
  24
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  138
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  [(1S,6S,7R,8R,8aR)-6,8-dibenzoyloxy-7-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] benzoate 在 palladium on activated charcoal 氢氧化钾 、 氢气 作用下， 生成 (1S,6S,7R,8R,8aR)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
  参考文献：
  名称：

  Synthesis of Castanospermine Glucosides

  摘要：

  Glucosides of the indolizidine alkaloid, castanospermine, were prepared by condensation reactions employing glucosyl imidates.

  DOI：

  10.1080/00397919208021345
• 作为产物：
  描述：

  2,3,4,6-四-O-苯基-Alpha-D-吡喃葡萄糖基三氯乙酰亚氨酸 、 1,6,8-tri-O-benzoylcastanospermine 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 96.0h， 以54%的产率得到[(1S,6S,7R,8R,8aR)-6,8-dibenzoyloxy-7-[(2R,3R,4S,5R,6R)-3,4,5-tris(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-yl]oxy-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] benzoate
  参考文献：
  名称：

  Synthesis of Castanospermine Glucosides

  摘要：

  Glucosides of the indolizidine alkaloid, castanospermine, were prepared by condensation reactions employing glucosyl imidates.

  DOI：

  10.1080/00397919208021345

文献信息

• Synthesis of Castanospermine Glucosides
  作者：Paul S. Liu、Chi-Hsin R. King

  DOI：10.1080/00397919208021345

  日期：1992.7

  Glucosides of the indolizidine alkaloid, castanospermine, were prepared by condensation reactions employing glucosyl imidates.