methyl (S)-2-((R,6Z,10Z)-14-(furan-3-yl)-3,7,11-trimethyltetradeca-6,10-dienamido)-2-phenylacetate | 1020171-44-1

• 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: methyl (S)-2-((R,6Z,10Z)-14-(furan-3-yl)-3,7,11-trimethyltetradeca-6,10-dienamido)-2-phenylacetate
• CAS: 1020171-44-1
• 化学式: C₃₀H₄₁NO₄
• 分子量: 479.66
• InChiKey: HWDMWYPLNPAUMF-QGTCAISUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.11
• 重原子数：
  35.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  68.54
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  (3R,6Z,10Z)-14-(furan-3-yl)-3,7,11-trimethyltetradeca-6,10-dienoic acid 、 (S)-(+)-2-苯甘氨酸甲酯 盐酸盐 在 benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate 、 1-羟基苯并三唑 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以1.4 mg的产率得到methyl (S)-2-((R,6Z,10Z)-14-(furan-3-yl)-3,7,11-trimethyltetradeca-6,10-dienamido)-2-phenylacetate
  参考文献：
  名称：

  Sesterterpenoids from the Sponge Sarcotragus sp.

  摘要：

  Nineteen new sesterterpenoids and eight known compounds were isolated from the sponge Sarcotragus sp. collected from Soheuksan Island, Korea. The structures of these compounds were determined to be linear sesterterpenoids containing furan or related oxygenated functionalities on the basis of combined chemical and spectroscopic analyses. In addition, the configurations of several previously undetermined compounds were assigned. Several compounds exhibited moderate to major antibacterial activity (compounds 1-3, 17, 18) and cytotoxicity (3, 11, 12) against the K562 cell line and inhibitory activity against isocitrate lyase (6, 13).

  DOI：

  10.1021/np0780147