tagetolone

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: tagetolone
• 英文别名: 5-hydroxy-1-(4-hydroxy-2-methoxy-3,6-dimethylphenyl)-2-methylhexan-3-one
• 化学式: C₁₆H₂₄O₄
• 分子量: 280.364
• InChiKey: OQJDVTONDORMQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  20
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 tagetolone 在 吡啶 作用下， 以14 mg的产率得到tagetolone diacetate
  参考文献：
  名称：

  Tagetolone and Tagetenolone:  Two Phytotoxic Polyketides from Alternaria tagetica

  摘要：

  Two new phytotoxic polyketides, tagetolone (1) and tagetenolone (2), in addition to tyrosol and p-hydroxybenzoic acid, have been isolated from the organic crude extract of culture filtrates from the fungal pathogen Alternaria tagetica. Complete characterization of all structures was carried out following a careful analysis of their spectroscopic data (IR, MS, H-1 and C-13 NMr, and 2D NMR experiments).

  DOI：

  10.1021/jf000872k

文献信息

• Tagetolone and Tagetenolone:  Two Phytotoxic Polyketides from <i>Alternaria tagetica</i>
  作者：M. Marcela Gamboa-Angulo、Karlina García-Sosa、Fátima Alejos-González、Fabiola Escalante-Erosa、Guillermo Delgado-Lamas、Luis M. Peña-Rodríguez

  DOI：10.1021/jf000872k

  日期：2001.3.1

  Two new phytotoxic polyketides, tagetolone (1) and tagetenolone (2), in addition to tyrosol and p-hydroxybenzoic acid, have been isolated from the organic crude extract of culture filtrates from the fungal pathogen Alternaria tagetica. Complete characterization of all structures was carried out following a careful analysis of their spectroscopic data (IR, MS, H-1 and C-13 NMr, and 2D NMR experiments).