eugenitin

• 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: eugenitin
• 英文别名: 7-Acetyl-5-hydroxy-2,6-dimethylchromen-4-one；7-acetyl-5-hydroxy-2,6-dimethylchromen-4-one
• 化学式: C₁₃H₁₂O₄
• 分子量: 232.236
• InChiKey: STMCQKWQJHZTKS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 eugenitin 在 硫酸 作用下， 反应 0.17h， 生成 Acetic acid 7-acetyl-2,6-dimethyl-4-oxo-4H-chromen-5-yl ester
  参考文献：
  名称：

  Chaetochromin, a bis(naphthodihydropyran-4-one) mycotoxin from Chaetomium thielavioideum: Application of 13C-1H long-rang coupling to the structure elucidation.

  摘要：

  Details of the separation of the metabolites (I-V) of Chaetomium thielavioideum are presented. The structure of a new mycotoxin named chaetochromin was studied by physical method (ultraviolet, infrared, 1H- and 13C-nuclear magnetic resonance (NMR), and mass spectrum) and it was identified as the bis (naphthodihydropyran-4-one (II). The assignment of the 13C-NMR signals was largely achieved with the aid of the two-and three-bond spin-spin couplings between 13C and 1H.

  DOI：

  10.1248/cpb.28.2428