epoxysesquithujene

• 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: epoxysesquithujene
• 英文别名: 2,2-Dimethyl-3-[3-(4-methyl-1-bicyclo[3.1.0]hex-3-enyl)butyl]oxirane；2,2-dimethyl-3-[3-(4-methyl-1-bicyclo[3.1.0]hex-3-enyl)butyl]oxirane
• 化学式: C₁₅H₂₄O
• 分子量: 220.355
• InChiKey: MAJHBVOOMZYAJX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  12.5
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  epoxysesquithujene 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 生成 sesquithujenol
  参考文献：
  名称：

  Epoxysesquithujene, a novel sesquiterpenoid from Valeriana hardwickii var. hardwickii

  摘要：

  Epoxysesquithujene, a new sesquiterpene epoxide has been characterized in the essential oil of Valeriana hardwickii var. hardwickii on the basis of chemical reactions and extensive NMR data. Fourteen other terpenoids have also been identified on the basis of GC-MS. (c) 2007 Published by Elsevier B.V.

  DOI：

  10.1016/j.fitote.2007.01.005

文献信息

• Epoxysesquithujene, a novel sesquiterpenoid from Valeriana hardwickii var. hardwickii
  作者：Chandra S. Mathela、Chandan S. Chanotiya、Shalini Sati、Subhash S. Sammal、Victor Wray

  DOI：10.1016/j.fitote.2007.01.005

  日期：2007.6

  Epoxysesquithujene, a new sesquiterpene epoxide has been characterized in the essential oil of Valeriana hardwickii var. hardwickii on the basis of chemical reactions and extensive NMR data. Fourteen other terpenoids have also been identified on the basis of GC-MS. (c) 2007 Published by Elsevier B.V.