21-(2-furyl)heneicosa-14,16-diyne-19-(2-furyl)nonadeca-5,7-diynoate | 874163-32-3

• 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-(2-furyl)heneicosa-14,16-diyne-19-(2-furyl)nonadeca-5,7-diynoate
• 英文别名: 21-(Furan-2-yl)henicosa-14,16-diynyl 19-(furan-2-yl)nonadeca-5,7-diynoate
• CAS: 874163-32-3
• 化学式: C₄₈H₆₈O₄
• 分子量: 709.066
• InChiKey: IIMUYKPOBAQTRX-UHFFFAOYSA-N

物化性质

• 沸点：
  784.1±55.0 °C(Predicted)
• 密度：
  0.995±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  16.5
• 重原子数：
  52
• 可旋转键数：
  34
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  21-(2-furyl)heneicosa-14,16-diyne-19-(2-furyl)nonadeca-5,7-diynoate 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 2.5h， 以34.8%的产率得到21-furan-2-ylhenicosa-14,16-diyn-1-ol
  参考文献：
  名称：

  2-Substituted Furans from the Roots of Polyalthia evecta

  摘要：

  Four new 2-substituted furans, 19-(2-furyl)nonadeca-5,7-diynoic acid (1), 19-(2-furyl)nonadeca-5-ynoic acid (2), 1-(2-furyl)-pentacosa-7,9-diyne (3), and ester 21-(2-furyl)heneicosa-14,16-diyne-19-(2-furyl)nonadeca-5,7-diynoate (4) have been isolated from the roots of Polyalthia evecta. Their structures were established by spectroscopic techniques. Compounds 1 and 1a showed antiplasmodial activity. The acids I and 2 exhibited antiviral activity against Herpes simplex type 1. In addition, 5 also showed cytotoxicity against the NCI-H187 cell line.

  DOI：

  10.1021/np0503202

文献信息

• 2-Substituted Furans from the Roots of <i>Polyalthia evecta</i>
  作者：Somdej Kanokmedhakul、Kwanjai Kanokmedhakul、Itsara Kantikeaw、Nutchanat Phonkerd

  DOI：10.1021/np0503202

  日期：2006.1.1

  Four new 2-substituted furans, 19-(2-furyl)nonadeca-5,7-diynoic acid (1), 19-(2-furyl)nonadeca-5-ynoic acid (2), 1-(2-furyl)-pentacosa-7,9-diyne (3), and ester 21-(2-furyl)heneicosa-14,16-diyne-19-(2-furyl)nonadeca-5,7-diynoate (4) have been isolated from the roots of Polyalthia evecta. Their structures were established by spectroscopic techniques. Compounds 1 and 1a showed antiplasmodial activity. The acids I and 2 exhibited antiviral activity against Herpes simplex type 1. In addition, 5 also showed cytotoxicity against the NCI-H187 cell line.