[(2S,3aS,9bS)-2-[(1R)-1-acetyloxypropyl]-7,8-dimethoxy-5-oxo-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-6-yl] acetate | 1064197-11-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: [(2S,3aS,9bS)-2-[(1R)-1-acetyloxypropyl]-7,8-dimethoxy-5-oxo-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-6-yl] acetate
• CAS: 1064197-11-0
• 化学式: C₂₀H₂₄O₉
• 分子量: 408.405
• InChiKey: KHLTVNGWJNYUGB-RMRKRWHISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  107
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  11(R)-hydroxymonocerin 、 乙酸酐 在 吡啶 、 4-二甲氨基吡啶 作用下， 反应 5.0h， 以96%的产率得到[(2S,3aS,9bS)-2-[(1R)-1-acetyloxypropyl]-7,8-dimethoxy-5-oxo-2,3,3a,9b-tetrahydrofuro[3,2-c]isochromen-6-yl] acetate
  参考文献：
  名称：

  11-Hydroxymonocerin from the Plant Endophytic Fungus Exserohilum rostratum

  摘要：

  A new analogue of monocerin, 11-hydroxymonocerin (2), along with monocerin (1) and 12-hydroxymonocerin (3) were isolated from Cultures of Exserohilum rostratum, a fungal strain endophytic in Stemona sp. The structure of 2 was determined by analysis of NMR and MS data and by comparison of spectroscopic data to those of 1. Monocerin (1) and 11-hydroxymonoccrin (2) displayed activity against Plasmodium falciparum (K 1, multidrug-resistant strain) with IC50 values of 0.68 and 7.70 mu M, respectively. None of the compounds were cytotoxic against any of the tumor cell lines tested.

  DOI：

  10.1021/np8004024