botryolide A | 1005344-34-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 内酯类
• 英文名称: botryolide A
• 英文别名: (1S,2S,4S,6R,10S,11R)-10-hydroxy-6-methyl-3,7,12-trioxatricyclo[9.1.0.02,4]dodecan-8-one
• CAS: 1005344-34-2
• 化学式: C₁₀H₁₄O₅
• 分子量: 214.218
• InChiKey: BVFFUSVHPGHUFQ-ATMWHSPLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.9
• 拓扑面积：
  71.6
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  botryolide A 、 甲氧基-三氟甲基苯 在 吡啶 作用下， 反应 50.0h， 以0.7 mg的产率得到
  参考文献：
  名称：

  Botryolides A−E, Decarestrictine Analogues from a Fungicolous Botryotrichum sp. (NRRL 38180)

  摘要：

  Four new decarestrictine analogues (botryolides A-D; 1-4), a biosynthetically related gamma-lactone (botryolide E; 5), and the known compounds decarestrictine D (6) and sterigmatocystin have been isolated from cultures of a fungicolous isolate of Botryotrichum sp. (NRRL 38180). The structures of these compounds were determined by analysis of 2D NMR and ESIMS data. The relative configurations of 1-5 were established on the basis of NMR data and/or X-ray diffraction analysis, while the absolute configuration of 1 was assigned using the modified Mosher method.

  DOI：

  10.1021/np070610d