3',4',4a',9a'-tetrahydro-6,7'-dimethyl-spirobenzofuran>-2,4a'-diol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃吡喃类
• 英文名称: 3',4',4a',9a'-tetrahydro-6,7'-dimethyl-spirobenzofuran>-2,4a'-diol
• 英文别名: 3',4',4a',9a'-tetrahydro-6,7'-dimethylspiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran]-2,4a'-diol；6,7'-dimethylspiro[2H-1-benzofuran-3,2'-4,9a-dihydro-3H-pyrano[2,3-b][1]benzofuran]-2,4'a-diol
• 化学式: C₂₀H₂₀O₅
• 分子量: 340.376
• InChiKey: YMKQULZUUJUBPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  68.2
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 3',4',4a',9a'-tetrahydro-6,7'-dimethyl-spirobenzofuran>-2,4a'-diol 以 吡啶 为溶剂， 反应 48.0h， 生成 (4'a-acetyloxy-6,7'-dimethylspiro[2H-1-benzofuran-3,2'-4,9a-dihydro-3H-pyrano[2,3-b][1]benzofuran]-2-yl) acetate
  参考文献：
  名称：

  A dimeric thymol derivative from Arnica sachalinensis

  摘要：

  A novel, unusual terpenoid compound was found as one of the main constituents in Arnica sachalinensis (Asteraceae). Its structure was established by NMR spectroscopic studies including COSY, HMQC, HMBC, and DEPT-135 experiments as a dimeric thymol derivative with a new spiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran] ring system. The stereochemistry and a possible biosynthesis of this compound are discussed and its antifeedant activity was tested against 5(th) instar larvae of Spodoptera litura, using leaf disk bioassays. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00083-6

文献信息

• A dimeric thymol derivative from Arnica sachalinensis
  作者：Claus M. Passreiter、Günter Willuhn、Horst Weber、Klaus-Jürgen Schleifer

  DOI：10.1016/s0040-4020(99)00083-6

  日期：1999.3

  A novel, unusual terpenoid compound was found as one of the main constituents in Arnica sachalinensis (Asteraceae). Its structure was established by NMR spectroscopic studies including COSY, HMQC, HMBC, and DEPT-135 experiments as a dimeric thymol derivative with a new spiro[benzofuran-3(2H),2'-pyrano[2,3-b]benzofuran] ring system. The stereochemistry and a possible biosynthesis of this compound are discussed and its antifeedant activity was tested against 5(th) instar larvae of Spodoptera litura, using leaf disk bioassays. (C) 1999 Elsevier Science Ltd. All rights reserved.