(6R,9R)-9-hydroxymegastigman-4-en-3-one (S)-MTPA ester

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (6R,9R)-9-hydroxymegastigman-4-en-3-one (S)-MTPA ester
• 英文别名: [(2R)-4-[(1R)-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]butan-2-yl] (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
• 化学式: C₂₃H₂₉F₃O₄
• 分子量: 426.476
• InChiKey: QQQCUCFQLBHDDY-WVBUVRCRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  30
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (R)-methoxytrifluoromethylphenylacetyl chloride 、 4-(3-羟基丁基)-3,5,5-三甲基环己-2-烯-1-酮 在 吡啶 作用下， 反应 6.0h， 生成 (6R,9R)-9-hydroxymegastigman-4-en-3-one (S)-MTPA ester
  参考文献：
  名称：

  Structure elucidation and phytotoxicity of C13 nor-isoprenoids from Cestrum parqui

  摘要：

  Twelve C-13 nor-isoprenoids have been isolated from the leaves of Cestrum parqui (Solanaceae). The structure (2R,6R,9R)-2,9-dihydroxy-4-megastigmen-3-one has been assigned to the new compound. All the structures have been determined by spectroscopic means and chemical correlations. The compounds showed phytotoxic effect on the germination and growth of Lactuca sativa L. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2003.11.018

文献信息

• Structure elucidation and phytotoxicity of C13 nor-isoprenoids from Cestrum parqui
  作者：Brigida D'Abrosca、Marina DellaGreca、Antonio Fiorentino、Pietro Monaco、Palma Oriano、Fabio Temussi

  DOI：10.1016/j.phytochem.2003.11.018

  日期：2004.2

  Twelve C-13 nor-isoprenoids have been isolated from the leaves of Cestrum parqui (Solanaceae). The structure (2R,6R,9R)-2,9-dihydroxy-4-megastigmen-3-one has been assigned to the new compound. All the structures have been determined by spectroscopic means and chemical correlations. The compounds showed phytotoxic effect on the germination and growth of Lactuca sativa L. (C) 2003 Elsevier Ltd. All rights reserved.