3-acetylmesaconitine

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-acetylmesaconitine
• 英文别名: tuberanine
• 化学式: C₃₅H₄₇NO₁₂
• 分子量: 673.758
• InChiKey: ZJKIRRNNLMCMQW-DMCHUPBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.83
• 重原子数：
  48.0
• 可旋转键数：
  9.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  159.52
• 氢给体数：
  2.0
• 氢受体数：
  13.0

反应信息

• 作为产物：
  描述：

  乙酸酐 、 mesaconitine 在 吡啶 作用下， 反应 10.0h， 以0.04 g的产率得到3-acetylmesaconitine
  参考文献：
  名称：

  Alkaloids ofAconitum tuberosum

  摘要：

  The new alkaloid tuberanine has been isolated from the roots of Aconitum tuberosum together with the known alkaloids mesaconitine, aconitine, and flaconitine. The structure of tuberanine has been established on the basis of its spectral characteristics and correlations with mesaconitine. It has been shown that the roots of this plant can serve as a source of raw material for obtaining the alkaloid mesaconitine.

  DOI：

  10.1007/bf02234935

文献信息

• Alkaloids ofAconitum tuberosum
  作者：M. N. Sultankhodzhaev、Z. S. Boronova

  DOI：10.1007/bf02234935

  日期：1999.3

  The new alkaloid tuberanine has been isolated from the roots of Aconitum tuberosum together with the known alkaloids mesaconitine, aconitine, and flaconitine. The structure of tuberanine has been established on the basis of its spectral characteristics and correlations with mesaconitine. It has been shown that the roots of this plant can serve as a source of raw material for obtaining the alkaloid mesaconitine.