2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol

• 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: 2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol
• 化学式: C₃₅H₅₈O
• 分子量: 494.845
• InChiKey: XKBZJGQFALBSTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.5
• 重原子数：
  36
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.89
• 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：

  2,4b,7,7,10a,12a-hexamethyl-1-[3-(4-methylcyclohexa-1,4-dien-1-yl)butyl]-3,4,4a,5,6,6a,8,9,10,10b,11,12-dodecahydro-1H-chrysen-2-ol 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

文献信息

• C₃₅-Terpenes from <i>Bacillus subtilis</i> KSM 6-10
  作者：Hirofumi Takigawa、Mitsuru Sugiyama、Yusuke Shibuya

  DOI：10.1021/np900705q

  日期：2010.2.26

  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.