(2E,6E)-9-(3-furyl)-6-methyl-2-(4-methylpet-3-enyl)-nona-2,6-dienoic acid methyl ester | 142143-21-3

• 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: (2E,6E)-9-(3-furyl)-6-methyl-2-(4-methylpet-3-enyl)-nona-2,6-dienoic acid methyl ester
• 英文别名: 10E-centipedic acid methyl ester；methyl (2E,6E)-9-(furan-3-yl)-6-methyl-2-(4-methylpent-3-enyl)nona-2,6-dienoate
• CAS: 142143-21-3
• 化学式: C₂₁H₃₀O₃
• 分子量: 330.467
• InChiKey: VXAPUYRRCZPZDB-SEJKWVFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  24
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  39.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (2E,6E)-9-(3-furyl)-6-methyl-2-(4-methylpet-3-enyl)-nona-2,6-dienoic acid methyl ester 在 二异丁基氢化铝 作用下， 以 四氢呋喃 为溶剂， 反应 4.0h， 以78.6%的产率得到(2E,6E)-9-Furan-3-yl-6-methyl-2-(4-methyl-pent-3-enyl)-nona-2,6-dien-1-ol
  参考文献：
  名称：

  Diterpenes from Laennecia sophiifolia

  摘要：

  From the aerial parts of Laennecia sophiifolia (Kunth) G.L. Nesom, a neo-clerodane and an acyclic furano diterpene were isolated, along with four known compounds, 2 beta -hydroxyhardwickiic acid, hawtriwaic acid, apigenin, and beta -sitosterol. Their structures were established as 12-epi-bacchotricuneatin A and (2E,6E)-9-(3-furyl)-6-methyl-2-(4-methylpent-3-enyl)-nona-2,6-dienoic acid, by analysis of spectral evidence. The absolute structure of 12-epi-bacchotricuneatin A was determined by a circular dichroism spectral comparison with that of bacchotricuneatin A. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(00)00290-9
• 作为产物：
  描述：

  重氮甲烷 、 (2E,6E)-9-(3-furyl)-6-methyl-2-(4-methylpet-3-enyl)-nona-2,6-dienoic acid 以 乙醚 为溶剂， 以94.2%的产率得到(2E,6E)-9-(3-furyl)-6-methyl-2-(4-methylpet-3-enyl)-nona-2,6-dienoic acid methyl ester
  参考文献：
  名称：

  Diterpenes from Laennecia sophiifolia

  摘要：

  From the aerial parts of Laennecia sophiifolia (Kunth) G.L. Nesom, a neo-clerodane and an acyclic furano diterpene were isolated, along with four known compounds, 2 beta -hydroxyhardwickiic acid, hawtriwaic acid, apigenin, and beta -sitosterol. Their structures were established as 12-epi-bacchotricuneatin A and (2E,6E)-9-(3-furyl)-6-methyl-2-(4-methylpent-3-enyl)-nona-2,6-dienoic acid, by analysis of spectral evidence. The absolute structure of 12-epi-bacchotricuneatin A was determined by a circular dichroism spectral comparison with that of bacchotricuneatin A. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(00)00290-9