bis-7-O-7".8-O-8" zinniol

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: bis-7-O-7".8-O-8" zinniol
• 英文别名: Bis-7-O-8.8-O-8-zinniol；6,18-dimethoxy-7,17-dimethyl-8,16-bis(3-methylbut-2-enoxy)-3,12-dioxatricyclo[12.4.0.05,10]octadeca-1(18),5,7,9,14,16-hexaene
• 化学式: C₃₀H₄₀O₆
• 分子量: 496.644
• InChiKey: WQGCUWCCMKFHOM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  36
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  百日菊链格孢醇 在 zinc(II) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 66.0h， 以2.5 mg的产率得到bis-7-O-8".8-O-7" zinniol
  参考文献：
  名称：

  Novel Dimeric Metabolites from Alternaria tagetica

  摘要：

  Two novel polyketides, bis-7-O-8 ".8-O-7 "- and bis-7-O-7 ".8-O-8 "-zinniol (2 and 3, respectively) were isolated from the organic crude extract of culture filtrates from Alternaria tagetica. Both structures were determined on the basis of their spectroscopic data (IR, MS, H-1 NMR, C-13 NMR, and 2D NMR experiments) and confirmed by chemical synthesis. Zinniol (1) was isolated as a major component, and its C-13 NMB data was correctly assigned after careful analysis of data from its 2D NMR experiments (HMQC and HMBC).

  DOI：

  10.1021/np990422q

文献信息

• Novel Dimeric Metabolites from <i>Alternaria</i> <i>t</i><i>agetica</i>
  作者：M. Marcela Gamboa-Angulo、Fátima Alejos-González、Fabiola Escalante-Erosa、Karlina García-Sosa、Guillermo Delgado-Lamas、Luis M. Peña-Rodríguez

  DOI：10.1021/np990422q

  日期：2000.8.1

  Two novel polyketides, bis-7-O-8 ".8-O-7 "- and bis-7-O-7 ".8-O-8 "-zinniol (2 and 3, respectively) were isolated from the organic crude extract of culture filtrates from Alternaria tagetica. Both structures were determined on the basis of their spectroscopic data (IR, MS, H-1 NMR, C-13 NMR, and 2D NMR experiments) and confirmed by chemical synthesis. Zinniol (1) was isolated as a major component, and its C-13 NMB data was correctly assigned after careful analysis of data from its 2D NMR experiments (HMQC and HMBC).