| 1058176-45-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• CAS: 1058176-45-6
• 化学式: C₁₉H₃₄O₅
• 分子量: 342.476
• InChiKey: QBFOPPHLGAJHGJ-SQHVCIQUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.26
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  86.99
• 氢给体数：
  3.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  、 苯甲酰氯 在 吡啶 、 4-二甲氨基吡啶 作用下， 生成
  参考文献：
  名称：

  Spiroleptosphol isolated from Leptosphaeria doliolum

  摘要：

  A novel gamma-methylidene-spirobutanolide spirolephtoshol (1) was isolated from ascomycetous fungus Leptosphaeria doliolum as a cytotoxic compound. The relative structure was established by the NMR analysis involving the NOE experiments. Absolute structure of the bicyclic moiety was determined by chemical derivation followed by the CD analysis. The relative and absolute stereochemistry of the side chain was established by comparison of the (1)H NMR spectra and the chiral GC chromatograms of the degradation product with the synthetic samples. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.087
• 作为产物：
  描述：

  spiroleptosphol 在 platinum(IV) oxide 、 氢气 作用下， 生成
  参考文献：
  名称：

  Spiroleptosphol isolated from Leptosphaeria doliolum

  摘要：

  A novel gamma-methylidene-spirobutanolide spirolephtoshol (1) was isolated from ascomycetous fungus Leptosphaeria doliolum as a cytotoxic compound. The relative structure was established by the NMR analysis involving the NOE experiments. Absolute structure of the bicyclic moiety was determined by chemical derivation followed by the CD analysis. The relative and absolute stereochemistry of the side chain was established by comparison of the (1)H NMR spectra and the chiral GC chromatograms of the degradation product with the synthetic samples. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.05.087