3,6,8-Trihydroxy-1-methoxy-1,7-bis(3-methylbut-2-enyl)xanthene-2,9-dione | 1146966-48-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: 3,6,8-Trihydroxy-1-methoxy-1,7-bis(3-methylbut-2-enyl)xanthene-2,9-dione
• CAS: 1146966-48-4
• 化学式: C₂₄H₂₆O₇
• 分子量: 426.466
• InChiKey: DOCWZGVKJUYVGI-UHFFFAOYSA-N

物化性质

• 沸点：
  611.9±55.0 °C(predicted)
• 密度：
  1.35±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  113
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3,6,8-Trihydroxy-1-methoxy-1,7-bis(3-methylbut-2-enyl)xanthene-2,9-dione 、 碘甲烷 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以66%的产率得到8-Hydroxy-1,3,6-trimethoxy-1,7-bis(3-methylbut-2-enyl)xanthene-2,9-dione
  参考文献：
  名称：

  Synthetic Studies of Mangostin Derivatives with an Inhibitory Activity on PDGF-Induced Human Aortic Smooth Cells Proliferation

  摘要：

  The mangostin derivatives 3-10, were synthesized by halogenation, electrochemical oxidation, and mCPBA oxidation of alpha- and gamma-mangostins (1, 2). Among them, the hydroxyl 9 and the benzopyran 10 derivatives produced by mCPBA, showed remarkable antiproliferative activities against human aortic smooth muscle cells (HASMC) induced by platelet-derived growth factor (PDGF).

  DOI：

  10.3987/com-08-s(f)65
• 作为产物：
  描述：

  甲醇 、 gamma-倒捻子素 以51%的产率得到3,6,8-Trihydroxy-1-methoxy-1,7-bis(3-methylbut-2-enyl)xanthene-2,9-dione
  参考文献：
  名称：

  Synthetic Studies of Mangostin Derivatives with an Inhibitory Activity on PDGF-Induced Human Aortic Smooth Cells Proliferation

  摘要：

  The mangostin derivatives 3-10, were synthesized by halogenation, electrochemical oxidation, and mCPBA oxidation of alpha- and gamma-mangostins (1, 2). Among them, the hydroxyl 9 and the benzopyran 10 derivatives produced by mCPBA, showed remarkable antiproliferative activities against human aortic smooth muscle cells (HASMC) induced by platelet-derived growth factor (PDGF).

  DOI：

  10.3987/com-08-s(f)65