1,3R,8R-trihydroxydec-9-en-4,6-yne | 693288-19-6

• 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: 1,3R,8R-trihydroxydec-9-en-4,6-yne
• 英文别名: 9-Decene-4,6-diyne-1,3,8-triol, (3R,8R)-；(3R,8R)-dec-9-en-4,6-diyne-1,3,8-triol
• CAS: 693288-19-6
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: HCTNZAAVSRVKLJ-ZJUUUORDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3R,8R-trihydroxydec-9-en-4,6-yne 在 咪唑 、 4-二甲氨基吡啶 、 polystyrene-carbodiimide 作用下， 以 氘代氯仿 为溶剂， 生成 methoxy-phenyl-acetic acid 1-[2-(tert-butyl-dimethyl-silanyloxy)-ethyl]-6-(methoxy-phenyl-acetoxy)-oct-7-ene-2,4-diynyl ester
  参考文献：
  名称：

  New Constituents of Artemisia monosperma

  摘要：

  A new eudesmane sesquiterpene (1) and a C-10 diyne (2) were isolated from the aerial parts of Artemisia monosperma. The structures of these compounds were determined as rel-1beta, 3alpha, 6beta-trihydroxyeudesm-4-ene (1) and 1,3R,8R-trihydroxydec-9-en-4,6-yne (2) on the basis of spectral data interpretation. The absolute stereochemistry of 2 was determined using Mosher ester methodology in which the terminal primary hydroxyl group was first protected to simplify the stereochemical analysis.

  DOI：

  10.1021/np030558v

文献信息

• New Constituents of <i>Artemisia </i><i>m</i><i>onosperma</i>
  作者：Michael Stavri、K. Thomas Mathew、Trevor Gibson、R. Thomas Williamson、Simon Gibbons

  DOI：10.1021/np030558v

  日期：2004.5.1

  A new eudesmane sesquiterpene (1) and a C-10 diyne (2) were isolated from the aerial parts of Artemisia monosperma. The structures of these compounds were determined as rel-1beta, 3alpha, 6beta-trihydroxyeudesm-4-ene (1) and 1,3R,8R-trihydroxydec-9-en-4,6-yne (2) on the basis of spectral data interpretation. The absolute stereochemistry of 2 was determined using Mosher ester methodology in which the terminal primary hydroxyl group was first protected to simplify the stereochemical analysis.