methyl (3S,4E,6E,11R)-3,11-bis[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy]dodeca-4,6-dienoate | 1312756-64-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: methyl (3S,4E,6E,11R)-3,11-bis[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy]dodeca-4,6-dienoate
• CAS: 1312756-64-1
• 化学式: C₃₃H₃₆F₆O₈
• 分子量: 674.634
• InChiKey: CDEMNYBOUFCWSE-JQSFTUTNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  47
• 可旋转键数：
  19
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  97.4
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  (3S,4E,6E,11R)-3,11-dihydroxydodeca-4,6-dienoic acid 在 吡啶 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 methyl (3S,4E,6E,11R)-3,11-bis[[(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]oxy]dodeca-4,6-dienoate
  参考文献：
  名称：

  Ieodomycins A–D, Antimicrobial Fatty Acids from a Marine Bacillus sp.

  摘要：

  Bioassay-guided isolation of the EtOAc extract of a marine Bacillus sp., cultured in modified Bennett's broth medium, yielded four new antimicrobial fatty acids, named ieodomycins A-D (1-4). The planar structures of these new compounds were determined by extensive 1D and 2D NMR and HRESIMS spectroscopic data analysis. Their absolute configurations were elucidated by modified Mosher's method and literature data review. All four new compounds (1-4) demonstrated antimicrobial activities in vitro.

  DOI：

  10.1021/np200223r

文献信息

• Ieodomycins A–D, Antimicrobial Fatty Acids from a Marine <i>Bacillus</i> sp.
  作者：M. A. Mojid Mondol、Ji Hye Kim、Min ah Lee、Fakir Shahidullah Tareq、Hyi-Seung Lee、Yeon-Ju Lee、Hee Jae Shin

  DOI：10.1021/np200223r

  日期：2011.7.22

  Bioassay-guided isolation of the EtOAc extract of a marine Bacillus sp., cultured in modified Bennett's broth medium, yielded four new antimicrobial fatty acids, named ieodomycins A-D (1-4). The planar structures of these new compounds were determined by extensive 1D and 2D NMR and HRESIMS spectroscopic data analysis. Their absolute configurations were elucidated by modified Mosher's method and literature data review. All four new compounds (1-4) demonstrated antimicrobial activities in vitro.