3,4-seco-19(10->9)-abeo-8α,9β,10α-tirucalla-4,24-dien-3-yl octanoate | 290305-83-8

• 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: 3,4-seco-19(10->9)-abeo-8α,9β,10α-tirucalla-4,24-dien-3-yl octanoate
• 英文别名: helianyl octanoate；3-[(3S,3aS,5aS,6S,9aS,9bR)-3-[(1S)-1,5-Dimethyl-4-hexen-1-yl]dodecahydro-3a,5a,9b-trimethyl-7-(1-methylethylidene)-1H-benz[e]inden-6-yl]propyl octanoate；3-[(3S,3aS,5aS,6S,9aS,9bR)-3a,5a,9b-trimethyl-3-[(2S)-6-methylhept-5-en-2-yl]-7-propan-2-ylidene-2,3,4,5,6,8,9,9a-octahydro-1H-cyclopenta[a]naphthalen-6-yl]propyl octanoate
• CAS: 290305-83-8
• 化学式: C₃₈H₆₆O₂
• 分子量: 554.941
• InChiKey: AFZHQMQGUKDWSJ-JZGVPKIKSA-N

物化性质

• 沸点：
  581.7±19.0 °C(Predicted)
• 密度：
  0.930±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  13.3
• 重原子数：
  40
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  甲醇 、 3,4-seco-19(10->9)-abeo-8α,9β,10α-tirucalla-4,24-dien-3-yl octanoate 在 sodium methylate 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 辛酸甲酯 、 3,4-seco-19(10->9)-abeo-8α,9β,10α-tirucalla-4,24-dien-3-ol
  参考文献：
  名称：

  Composition of lipids from sunflower pollen (Helianthus annuus)

  摘要：

  The contents of the pollen lipids of the sunflower Helianthus annuus are described. The major component is the seco-triterpene helianyl octanoate, followed by new beta-diketones as second major group of compounds. They exhibit a shorter chain length and often other positions of the functional group compared to already known beta-diketones. Of particular note are the 1-phenyl-beta-diketones. not previously reported from nature. Further lipid classes present are related hydroxyketones and diols. Interestingly, new beta-dioxoalkanoic acids are present in the extracts. which most likely are biogenetic precursors of the diketones. Additionally, we investigated the composition of the pollen coat which resembles the total extract, but lacks the dioxoalkanoic acids and certain estolides. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(00)00089-3
• 作为产物：
  描述：

  辛酰氯 、 3,4-seco-19(10->9)-abeo-8α,9β,10α-tirucalla-4,24-dien-3-ol 在 吡啶 作用下， 生成 3,4-seco-19(10->9)-abeo-8α,9β,10α-tirucalla-4,24-dien-3-yl octanoate
  参考文献：
  名称：

  Composition of lipids from sunflower pollen (Helianthus annuus)

  摘要：

  The contents of the pollen lipids of the sunflower Helianthus annuus are described. The major component is the seco-triterpene helianyl octanoate, followed by new beta-diketones as second major group of compounds. They exhibit a shorter chain length and often other positions of the functional group compared to already known beta-diketones. Of particular note are the 1-phenyl-beta-diketones. not previously reported from nature. Further lipid classes present are related hydroxyketones and diols. Interestingly, new beta-dioxoalkanoic acids are present in the extracts. which most likely are biogenetic precursors of the diketones. Additionally, we investigated the composition of the pollen coat which resembles the total extract, but lacks the dioxoalkanoic acids and certain estolides. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(00)00089-3

文献信息

• Composition of lipids from sunflower pollen (Helianthus annuus)
  作者：Stefan Schulz、Cristian Arsene、Marianne Tauber、Jeremy N McNeil

  DOI：10.1016/s0031-9422(00)00089-3

  日期：2000.6

  The contents of the pollen lipids of the sunflower Helianthus annuus are described. The major component is the seco-triterpene helianyl octanoate, followed by new beta-diketones as second major group of compounds. They exhibit a shorter chain length and often other positions of the functional group compared to already known beta-diketones. Of particular note are the 1-phenyl-beta-diketones. not previously reported from nature. Further lipid classes present are related hydroxyketones and diols. Interestingly, new beta-dioxoalkanoic acids are present in the extracts. which most likely are biogenetic precursors of the diketones. Additionally, we investigated the composition of the pollen coat which resembles the total extract, but lacks the dioxoalkanoic acids and certain estolides. (C) 2000 Elsevier Science Ltd. All rights reserved.