3'(R)-acetoxy-4'(S)-angeloyloxy-3',4'-dihydroseselin

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 3'(R)-acetoxy-4'(S)-angeloyloxy-3',4'-dihydroseselin
• 英文别名: (-)-(3'R,4'S)-3'-acetyl-4'-angeloylkhellactone；(-)-trans-3'-acetyl-4'-angeloylkhellactone；[(9R,10S)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] (Z)-2-methylbut-2-enoate
• 化学式: C₂₁H₂₂O₇
• 分子量: 386.401
• InChiKey: LYUZYPKZQDYMEE-CIRUDOSSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  88.1
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  3'(R)-acetoxy-4'(S)-angeloyloxy-3',4'-dihydroseselin 在 氢氧化钾 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.5h， 以4 mg的产率得到3'(R)-acetoxy-4'(R)-hydroxy-3',4'-dihydroseselin
  参考文献：
  名称：

  Two Dihydropyranocoumarins from Peucedanum wawrii

  摘要：

  Two dihydropyranocoumarins were isolated from the root of Peucedanum wawrii and the structures were established as 3'(R)-acetoxy-3',4'-dihydroxanthyletin (1) and 3'(R)-acetoxy-4'(S)-angeloyloxy-3',4'-dihydroseselin (2), respectively, by spectroscopic methods. The absolute configurations were deduced by chemical correlations with known compounds.

  DOI：

  10.3987/com-02-9629