21-Furan-2-yl-henicosa-5,7-diynoic acid

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 21-Furan-2-yl-henicosa-5,7-diynoic acid
• 英文别名: 21-(2-Furyl)henicosa-5,7-diynoic acid；21-(furan-2-yl)henicosa-5,7-diynoic acid
• 化学式: C₂₅H₃₆O₃
• 分子量: 384.559
• InChiKey: TUQJMXYGPHWZQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  28
• 可旋转键数：
  17
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  甲醇 、 21-Furan-2-yl-henicosa-5,7-diynoic acid 在 氯化亚砜 作用下， 反应 2.0h， 以94.6%的产率得到21-Furan-2-yl-henicosa-5,7-diynoic acid methyl ester
  参考文献：
  名称：

  A diynoic acid from Polyalthia evecta

  摘要：

  A novel diynoic acid, evectic acid (21-furan-heneicosa-5,7-diynoic acid), has been isolated from the roots of Polyalthia evecta. Its structure was elucidated by spectroscopic methods. The H-1 and C-13 NMR spectra were assigned by combined application of COSY, HMQC, DEFT, HMBC and NOESY experiments. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0031-9422(97)00487-1

文献信息

• A diynoic acid from Polyalthia evecta
  作者：S. Kanokmedhakul、K. Kanokmedhakul、Ikuko I. Ohtani、M. Isobe

  DOI：10.1016/s0031-9422(97)00487-1

  日期：1998.1

  A novel diynoic acid, evectic acid (21-furan-heneicosa-5,7-diynoic acid), has been isolated from the roots of Polyalthia evecta. Its structure was elucidated by spectroscopic methods. The H-1 and C-13 NMR spectra were assigned by combined application of COSY, HMQC, DEFT, HMBC and NOESY experiments. (C) 1997 Elsevier Science Ltd.