(+)-α-selinene | 64474-07-3

• 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: (+)-α-selinene
• 英文别名: ent-α-selinene；(3S,4aS,8aS)-5,8a-dimethyl-3-prop-1-en-2-yl-2,3,4,4a,7,8-hexahydro-1H-naphthalene
• CAS: 64474-07-3
• 化学式: C₁₅H₂₄
• 分子量: 204.356
• InChiKey: OZQAPQSEYFAMCY-ZNMIVQPWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (+)-α-selinene 在 palladium on activated charcoal 氢气 作用下， 以 正己烷 为溶剂， 反应 0.5h， 生成 (-)-Selinan 、 (1S,4aS,7S,8aR)-7-Isopropyl-1,4a-dimethyl-decahydro-naphthalene
  参考文献：
  名称：

  Sesquiterpene constituents of the liverwort Lophozia ventricosa

  摘要：

  The essential oil of Lophozia ventricosa was investigated and yielded the two new sesquiterpenoids ventricos-7(13)-ene and 6,7-epoxyeudesin-3-ene. The first has a new skeleton, which is named ventricosane and is numbered after the structurally closest known sesquiterpene skeleton pentalenane. The absolute configuration of the latter compound was established by conversion to known compounds. The isolated compounds and reaction products were investigated using enantioselective GC and extensive NMR measurements (H-1; H-1-H-1 COSY; HSQC; HMBC and NOE experiments). (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2005.01.019
• 作为产物：
  描述：

  7-epi-α-eudesmol 在 盐酸 作用下， 反应 0.33h， 以75.6%的产率得到selina-3,7(11)-diene
  参考文献：
  名称：

  Essential oil of Amyris balsamifera

  摘要：

  DOI：

  10.1016/s0031-9422(00)97885-3

文献信息

• Essential oil of Amyris balsamifera
  作者：Teris A. Van Beek、Roelof Kleis、Maarten A. Posthumus、Albertus Van Veldhuizen

  DOI：10.1016/s0031-9422(00)97885-3

  日期：1989.1
• Sesquiterpene constituents of the liverwort Lophozia ventricosa
  作者：Runhua Lu、Claudia Paul、Simla Basar、Wilfried A. König

  DOI：10.1016/j.tetasy.2005.01.019

  日期：2005.2

  The essential oil of Lophozia ventricosa was investigated and yielded the two new sesquiterpenoids ventricos-7(13)-ene and 6,7-epoxyeudesin-3-ene. The first has a new skeleton, which is named ventricosane and is numbered after the structurally closest known sesquiterpene skeleton pentalenane. The absolute configuration of the latter compound was established by conversion to known compounds. The isolated compounds and reaction products were investigated using enantioselective GC and extensive NMR measurements (H-1; H-1-H-1 COSY; HSQC; HMBC and NOE experiments). (C) 2005 Elsevier Ltd. All rights reserved.