α-trans-himachalane | 81369-41-7

• 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-trans-himachalane
• 英文别名: α-himachalene；(4aS)-3,5,5-trimethyl-9-methylen-(4ar,9at)-2,4a,5,6,7,8,9,9a-octahydro-1H-benzocycloheptene；(4aS)-3,5,5-Trimethyl-9-methylen-(4ar,9at)-2,4a,5,6,7,8,9,9a-octahydro-1H-benzocyclohepten；(1S,6S)-alpha-himachalene；(4aS,9aS)-3,5,5-trimethyl-9-methylidene-2,4a,6,7,8,9a-hexahydro-1H-benzo[7]annulene
• CAS: 81369-41-7
• 化学式: C₁₅H₂₄
• 分子量: 204.356
• InChiKey: ZJSIKVDEOWWVEH-KGLIPLIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  15
• 可旋转键数：
  0
• 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-trans-himachalane 在 间氯过氧苯甲酸 作用下， 生成 (2S,3R)-2,3-epoxy-trans-himachalane
  参考文献：
  名称：

  2α,3α:7β,13β-Diépoxy-trans-himachalane

  摘要：

  The stereochemistry of the major isomer resulting from the epoxidation of alpha-trans-himachalene has been established. Hence, the configurations of the three resulting derivatives have been deduced. The seven-membered ring in the title compound, C15H24O2, is twist-chair shaped while the six-membered ring adopts a 1,2-diplanar conformation.

  DOI：

  10.1107/s0108270194014125
• 作为产物：
  描述：

  3,7-Dichlorhimachalan 以 乙醇 为溶剂， 反应 4.0h， 生成 ar-himachalene 、 β-himachalene 、 α-trans-himachalane 、 2-Methylen-6,6,9-trimethyl-1β(H),7α(H)-bicyclo[5.4.0]undecen-9
  参考文献：
  名称：

  Harref, A. Ben; Bernardini, A.; Viallefont, Ph., Journal of Chemical Research, Miniprint, 1981, # 12, p. 4329 - 4356

  摘要：

  DOI：

文献信息

• 2α,3α:7β,13β-Diépoxy-trans-himachalane
  作者：A. Chiaroni、C. Riche、A. Benharref、H. El Jamili、E. Lassaba

  DOI：10.1107/s0108270194014125

  日期：1995.6.15

  The stereochemistry of the major isomer resulting from the epoxidation of alpha-trans-himachalene has been established. Hence, the configurations of the three resulting derivatives have been deduced. The seven-membered ring in the title compound, C15H24O2, is twist-chair shaped while the six-membered ring adopts a 1,2-diplanar conformation.
• Lassaba, E.; Jamili, H. El; Benharref, A., Bulletin des Societes Chimiques Belges, 1997, vol. 106, # 12, p. 773 - 780
  作者：Lassaba, E.、Jamili, H. El、Benharref, A.、Chiaroni, A.、Riche, C.、Pierrot, M.

  DOI：——

  日期：——
• Regio and Stereoselective Epoxidation of<i>Cis</i>-and Trans-Himachalenes
  作者：E. Lassaba、H. ElJamili、A. Chekroun、A. Benharref、A. Chiaroni、C. Riche、J.-P. Lavergne

  DOI：10.1080/00397919808004833

  日期：1998.7

  As part of our program on valorisation of moroccan essential oils, we have synthesized, from cis- and trans-himachalenes extracted from cedrus Atlantica, mono and diepoxides in 2,3 and 7,13 or 7,8 position whose configurations were established.
• Harref, A. Ben; Bernardini, A.; Viallefont, Ph., Journal of Chemical Research, Miniprint, 1981, # 12, p. 4329 - 4356
  作者：Harref, A. Ben、Bernardini, A.、Viallefont, Ph.、Fkih-Tetouani, S.、Jacquier, R.

  DOI：——

  日期：——