echinopsacetylene B | 1346753-66-9

• 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: echinopsacetylene B
• 英文别名: [2-hydroxy-4-(5-penta-1,3-diynylthiophen-2-yl)but-3-ynyl] (9Z,12Z)-octadeca-9,12-dienoate
• CAS: 1346753-66-9
• 化学式: C₃₁H₄₀O₃S
• 分子量: 492.723
• InChiKey: JASLVNVHAFSUTI-UTJQPWESSA-N

物化性质

• 沸点：
  638.0±55.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.1
• 重原子数：
  35
• 可旋转键数：
  20
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  74.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  甲醇 、 echinopsacetylene B 在 盐酸 作用下， 反应 1.0h， 生成 2-(3,4-dihydroxybut-1-yn-1-yl)-5-(penta-1,3-diyn-1-yl)thiophene 、 亚油酸甲酯
  参考文献：
  名称：

  Echinopsacetylenes A and B, New Thiophenes from Echinops transiliensis

  摘要：

  Two new polyacetylene thiophenes, echinopsacetylenes A and B (1 and 2), were Isolated from the roots of Echinops transiliensis. The structures of 1 and 2 were elucidated on the basis of spectroscopic analyses and chemical transformations. Echinopsacetylenes A (1) Is the first natural product possessing an cc-terthienyl moiety covalently linked with another thiophene moiety. Echinopsacetylenes 8 (2) is the first natural thiophene conjugated with a fatty acid moiety. Echinopsacetylene A (1) showed toxicity against the Formosoan subterranean termite (Coptotermes formosanus).

  DOI：

  10.1021/ol202680a

文献信息

• Echinopsacetylenes A and B, New Thiophenes from <i>Echinops transiliensis</i>
  作者：Hiroshi Nakano、Charles L. Cantrell、Leonid K. Mamonov、Weste L. A. Osbrink、Samir A. Ross

  DOI：10.1021/ol202680a

  日期：2011.12.2

  Two new polyacetylene thiophenes, echinopsacetylenes A and B (1 and 2), were Isolated from the roots of Echinops transiliensis. The structures of 1 and 2 were elucidated on the basis of spectroscopic analyses and chemical transformations. Echinopsacetylenes A (1) Is the first natural product possessing an cc-terthienyl moiety covalently linked with another thiophene moiety. Echinopsacetylenes 8 (2) is the first natural thiophene conjugated with a fatty acid moiety. Echinopsacetylene A (1) showed toxicity against the Formosoan subterranean termite (Coptotermes formosanus).