1-Methyl-4-(6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl)benzene

• 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: 1-Methyl-4-(6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl)benzene
• 英文别名: 1-methyl-4-(6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl)benzene
• 化学式: C₃₅H₅₄
• 分子量: 474.814
• InChiKey: QPKZNYSFYNDTAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  12.8
• 重原子数：
  35
• 可旋转键数：
  16
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  1-Methyl-4-(6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl)benzene 生成 (1R,2R,4aS,4bR,6aS,10aS,12aS)-2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylphenyl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro1H-chrysen-2-ol
  参考文献：
  名称：

  C₃₅-Terpenes from Bacillus subtilis KSM 6-10

  摘要：

  Four C-35-terpenes (1-4) were isolated front it liquid culture of Bacillus subtilis KSM 6-10. Compounds I and 2, tetraprenyl-beta-curcumene and tetraprenyl-alpha-curcumene, respectively, were previously isolated from it spore preparation of the same species, whereas 3 and 4 are new C-35-terpenols. The C-35-terpenols (3 and 4) possess polycyclic skeletons. We propose that file C-35-terpenols (3 and 4) are formed by cyclization of the acyclic C-35-terpenes (1 and 2). Because only trace amounts of C-35-terpenols 3 and 4 were found in the spore in contrast to file vegetative cells of B. subtilis KSM 6-10, it is assumed that the expression of terpene cyclase is not related to sporulation, its has been observed by other researchers in a different strain.

  DOI：

  10.1021/np900705q
• 作为产物：
  描述：

  1-Methyl-4-(6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl)cyclohexa-1,4-diene 以 正己烷 为溶剂， 反应 72.0h， 生成 1-Methyl-4-(6,10,14,18,22-pentamethyltricosa-5,9,13,17,21-pentaen-2-yl)benzene
  参考文献：
  名称：

  C₃₅-Terpenes from Bacillus subtilis KSM 6-10

  摘要：

  Four C-35-terpenes (1-4) were isolated front it liquid culture of Bacillus subtilis KSM 6-10. Compounds I and 2, tetraprenyl-beta-curcumene and tetraprenyl-alpha-curcumene, respectively, were previously isolated from it spore preparation of the same species, whereas 3 and 4 are new C-35-terpenols. The C-35-terpenols (3 and 4) possess polycyclic skeletons. We propose that file C-35-terpenols (3 and 4) are formed by cyclization of the acyclic C-35-terpenes (1 and 2). Because only trace amounts of C-35-terpenols 3 and 4 were found in the spore in contrast to file vegetative cells of B. subtilis KSM 6-10, it is assumed that the expression of terpene cyclase is not related to sporulation, its has been observed by other researchers in a different strain.

  DOI：

  10.1021/np900705q