(6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaen-2-ol | 14031-38-0

• 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: (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaen-2-ol
• 英文别名: 2-hydroxy-2,3-dihydrosqualene；2,3-Dihydro-2-hydroxy-squalen
• CAS: 14031-38-0
• 化学式: C₃₀H₅₂O
• 分子量: 428.742
• InChiKey: PLRZWFRMKIWBCE-GUUMBNHASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  31
• 可旋转键数：
  16
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaen-2-ol 在 palladium on activated charcoal 氢气 、 sodium acetate 作用下， 以 乙酸乙酯 为溶剂， 反应 11.0h， 生成 2,6,10,15,19,23-Hexamethyl-tetracosan-2-ol
  参考文献：
  名称：

  Seo, Chull Won; Yamada, Yasuhiro; Takada, Nobuo, Agricultural and Biological Chemistry, 1981, vol. 45, # 9, p. 2025 - 2030

  摘要：

  DOI：
• 作为产物：
  描述：

  角鲨烯 在 N-溴代丁二酰亚胺(NBS) 、 lithium aluminium tetrahydride 、 水 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (6E,10E,14E,18E)-2,6,10,15,19,23-hexamethyltetracosa-6,10,14,18,22-pentaen-2-ol
  参考文献：
  名称：

  Isotopically Enriched ¹³C Diffusion-Ordered NMR Spectroscopy: Analysis of Methyllithium

  摘要：

  We report the development of isotopic-labeled C-13 diffusion-ordered NMR spectroscopy (DOSY) NMR with diffusion coefficient-formula weight (D-FW) analysis and its application in characterizing the aggregation state of methyllithium aggregates and complexes with several widely used diamines. Commercially available C-13-labeled benzene and several easily synthesized C-13-labeled compounds using C-13-labeled iodomethane as the isotopic source are developed as internal references for diffusion-formula weight analysis (D-FW). The technique greatly expands the applicability of DOSY D-FW analysis to a much wider variety of compounds because of isotopic labeling. These results reveal that methyllithium exists as a tetrasolvated tetramer in diethyl ether and exclusively as bis-solvated dimers with chelating diamines.

  DOI：

  10.1021/jo401740g

文献信息

• Lack of a secondary .beta.-deuterium kinetic isotope effect in the solvolysis of 2-chloro-3-hydrosqualene. A case of extended .pi.-participation and indication of concerted biomimetic polycyclization
  作者：Olga Kronja、Mirko Orlovic、Kresimir Humski、Stanko Borcic

  DOI：10.1021/ja00006a062

  日期：1991.3
• Isotopically Enriched ¹³C Diffusion-Ordered NMR Spectroscopy: Analysis of Methyllithium
  作者：Chicheung Su、Russell Hopson、Paul G. Williard

  DOI：10.1021/jo401740g

  日期：2013.12.6

  We report the development of isotopic-labeled C-13 diffusion-ordered NMR spectroscopy (DOSY) NMR with diffusion coefficient-formula weight (D-FW) analysis and its application in characterizing the aggregation state of methyllithium aggregates and complexes with several widely used diamines. Commercially available C-13-labeled benzene and several easily synthesized C-13-labeled compounds using C-13-labeled iodomethane as the isotopic source are developed as internal references for diffusion-formula weight analysis (D-FW). The technique greatly expands the applicability of DOSY D-FW analysis to a much wider variety of compounds because of isotopic labeling. These results reveal that methyllithium exists as a tetrasolvated tetramer in diethyl ether and exclusively as bis-solvated dimers with chelating diamines.
• Seo, Chull Won; Yamada, Yasuhiro; Takada, Nobuo, Agricultural and Biological Chemistry, 1981, vol. 45, # 9, p. 2025 - 2030
  作者：Seo, Chull Won、Yamada, Yasuhiro、Takada, Nobuo、Okada, Hirosuke

  DOI：——

  日期：——