digoxigenin 3-O-acetyl-12-tosylate | 141365-16-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: digoxigenin 3-O-acetyl-12-tosylate
• CAS: 141365-16-4
• 化学式: C₃₂H₄₂O₈S
• 分子量: 586.747
• InChiKey: LXUYDFOJKXSWQD-ZPCXDCSISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.87
• 重原子数：
  41.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  116.2
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  digoxigenin 3-O-acetyl-12-tosylate 在 吡啶 作用下， 反应 1.0h， 以45 mg的产率得到thevetiogenin 3-acetate
  参考文献：
  名称：

  C-nor-d-Homo-cardenolide glycosides fromThevetia neriifolia

  摘要：

  Along with known digitoxigenin alpha-L-thevetoside and alpha-L-acofrioside, the corresponding glycosides of a C-nor-D-homocardenolide were isolated from the air-dried leaves of Thevetia neriifolia and their structures determined by spectral and chemical methods. Triosides of the C-nor-D-homo-cardenolide were obtained from the methanol extract of the fresh leaves.

  DOI：

  10.1016/0031-9422(91)83047-o
• 作为产物：
  描述：

  地高辛配基-3,12-二乙酸酯 在 吡啶 、 potassium hydrogencarbonate 作用下， 以 甲醇 为溶剂， 反应 48.0h， 生成 digoxigenin 3-O-acetyl-12-tosylate
  参考文献：
  名称：

  C-nor-d-Homo-cardenolide glycosides fromThevetia neriifolia

  摘要：

  Along with known digitoxigenin alpha-L-thevetoside and alpha-L-acofrioside, the corresponding glycosides of a C-nor-D-homocardenolide were isolated from the air-dried leaves of Thevetia neriifolia and their structures determined by spectral and chemical methods. Triosides of the C-nor-D-homo-cardenolide were obtained from the methanol extract of the fresh leaves.

  DOI：

  10.1016/0031-9422(91)83047-o