penostatin B | 173655-56-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: penostatin B
• 英文别名: (3R,4aS,8R,9aR,9bR)-8-hydroxy-2-methyl-3-[(E)-non-1-enyl]-4a,7,8,9,9a,9b-hexahydro-3H-cyclopenta[f]chromen-5-one
• CAS: 173655-56-6
• 化学式: C₂₂H₃₂O₃
• 分子量: 344.494
• InChiKey: ONCGMAFAIBLDNP-JPFIIEMTSA-N

物化性质

• 沸点：
  501.6±50.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲氧基-三氟甲基苯 、 penostatin B 在 吡啶 作用下， 反应 18.0h， 以0.8 mg的产率得到(S)-3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid (2R,5aS,7R,9aR,9bR)-8-methyl-7-((E)-non-1-enyl)-5-oxo-1,2,3,5,5a,7,9a,9b-octahydro-6-oxa-cyclopenta[a]naphthalen-2-yl ester
  参考文献：
  名称：

  Absolute stereostructures of novel cytotoxic metabolites, penostatins A–E, from a Penicillium species separated from an Enteromorpha alga

  摘要：

  Penostatins A - E have been isolated tom a strain of Penicillium sp. originally separated tom the marine alga Enteromorpha intestinalis, and their absolute stereostructures and conformations have been established on the basis of spectral analyses and some chemical transformations. All the compounds except for penostatin D exhibited significant cytotoxicity against cultured P388 cells. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00884-4
• 作为产物：
  描述：

  penostatin D 在 chromium(VI) oxide 作用下， 以 乙酸酐 、 溶剂黄146 、 苯 为溶剂， 以1.0 mg的产率得到penostatin B
  参考文献：
  名称：

  Absolute stereostructures of novel cytotoxic metabolites, penostatins A–E, from a Penicillium species separated from an Enteromorpha alga

  摘要：

  Penostatins A - E have been isolated tom a strain of Penicillium sp. originally separated tom the marine alga Enteromorpha intestinalis, and their absolute stereostructures and conformations have been established on the basis of spectral analyses and some chemical transformations. All the compounds except for penostatin D exhibited significant cytotoxicity against cultured P388 cells. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(99)00884-4