peujaponisinol A | 72463-78-6

• 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: peujaponisinol A
• 英文别名: (3′S,4′S)-3′-O-senecioylkhellactone；(3′S,4′S)-peujaponisinol A；2-Butenoic acid, 3-methyl-, 9,10-dihydro-10-hydroxy-8,8-dimethyl-2-oxo-2H,8H-benzo[1,2-b:3,4-ba(2)]dipyran-9-yl ester, cis-；[(9S,10S)-10-hydroxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-9-yl] 3-methylbut-2-enoate
• CAS: 72463-78-6
• 化学式: C₁₉H₂₀O₆
• 分子量: 344.364
• InChiKey: CLVZIESVQOWZKS-WMZOPIPTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  peujaponisinol A 在 sodium hydroxide 作用下， 反应 1.0h， 以4.6 mg的产率得到(-)-cis-khellactone
  参考文献：
  名称：

  Dihydropyranocoumarins from Peucedanum japonicum

  摘要：

  Two new angular-type dihydropyranocoumarins, peujaponisinol A and B, were isolated from the roots of Peucedanum japonicum and the structures determined as 3'(S)-senecioyloxy-4'(S)-hydroxy-3',4'-dihydroseselin and 3'(S)-hydroxy-4'(S)-senecioyloxy-3',4'-dihydroseselin, respectively, by spectroscopic and chemical methods.

  DOI：

  10.1016/0031-9422(93)85132-b

文献信息

• Dihydropyranocoumarins from Peucedanum japonicum
  作者：Yasumasa Ikeshiro、Izumi Mase、Yutaka Tomita

  DOI：10.1016/0031-9422(93)85132-b

  日期：1993.8

  Two new angular-type dihydropyranocoumarins, peujaponisinol A and B, were isolated from the roots of Peucedanum japonicum and the structures determined as 3'(S)-senecioyloxy-4'(S)-hydroxy-3',4'-dihydroseselin and 3'(S)-hydroxy-4'(S)-senecioyloxy-3',4'-dihydroseselin, respectively, by spectroscopic and chemical methods.