(3R,4aR,5S,7aR,8S,9R,11aR)-4a,9-dimethylhexahydro-1H,3H,9H-3,5-methanopyrano[4,3-d]chromene-3,5,8,9(6H)-tetraol | 594840-08-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: (3R,4aR,5S,7aR,8S,9R,11aR)-4a,9-dimethylhexahydro-1H,3H,9H-3,5-methanopyrano[4,3-d]chromene-3,5,8,9(6H)-tetraol
• CAS: 594840-08-1
• 化学式: C₁₅H₂₄O₆
• 分子量: 300.352
• InChiKey: ZMPQPORLQFGZGF-PHVIDMSXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.47
• 重原子数：
  21.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  99.38
• 氢给体数：
  4.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  (R)-(-)-α-甲氧基苯乙酸 、 (3R,4aR,5S,7aR,8S,9R,11aR)-4a,9-dimethylhexahydro-1H,3H,9H-3,5-methanopyrano[4,3-d]chromene-3,5,8,9(6H)-tetraol 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成 C₂₄H₃₂O₈
  参考文献：
  名称：

  Novel trichothecanes, paecilomycine A, B, and C, isolated from entomopathogenic fungus, Paecilomyces tenuipes

  摘要：

  Paecilomycine A (1), B (2), and C (3) were isolated from cultivated fruiting bodies of Paecilomyces tenuipes (Isaria japonica), which is a popular entomopathogenic fungus used in folk medicine and health foods in China, Korea, and Japan. The structures of 1 3 were deduced from their spectroscopic data and their absolute configurations were elucidated by preparing their MPA esters. Compound I showed activity in the neurotrophic factor biosynthesis in glial cells. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.06.107
• 作为产物：
  描述：

  paecilomycine A 在 四氧化锇 、 N-甲基吲哚酮 作用下， 以 水 、 乙腈 为溶剂， 生成 (3R,4aR,5S,7aR,8S,9R,11aR)-4a,9-dimethylhexahydro-1H,3H,9H-3,5-methanopyrano[4,3-d]chromene-3,5,8,9(6H)-tetraol
  参考文献：
  名称：

  Novel trichothecanes, paecilomycine A, B, and C, isolated from entomopathogenic fungus, Paecilomyces tenuipes

  摘要：

  Paecilomycine A (1), B (2), and C (3) were isolated from cultivated fruiting bodies of Paecilomyces tenuipes (Isaria japonica), which is a popular entomopathogenic fungus used in folk medicine and health foods in China, Korea, and Japan. The structures of 1 3 were deduced from their spectroscopic data and their absolute configurations were elucidated by preparing their MPA esters. Compound I showed activity in the neurotrophic factor biosynthesis in glial cells. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.06.107