9β-hydroxy-2β-methoxyclovane | 215663-12-0

• 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: 9β-hydroxy-2β-methoxyclovane
• 英文别名: 2β-methoxyclovan-9β-ol；(1S,2S,5S,8R,9S)-2-methoxy-4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-9-ol
• CAS: 215663-12-0
• 化学式: C₁₆H₂₈O₂
• 分子量: 252.397
• InChiKey: CINURJJDMOKVMD-RDUHTLEXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  9β-hydroxy-2β-methoxyclovane 以 水 为溶剂， 反应 480.0h， 生成 dihydrobotrydial
  参考文献：
  名称：

  The Biotransformation of Some Clovanes by Botrytis cinerea

  摘要：

  The metabolism of the fungistatic agent 2 beta-methoxyclovan-9 alpha-ol (2) by the fungus Botrytis cinerea has been investigated. Biotransformation of compound 2 yielded compounds 3-5, 7, and 9. The major metabolites of compound 2 each show much reduced biological activity when compared with the parent compound. Also studied were the effects of B. cinerea on the metabolism of the related compounds 2 beta-methoxyclovan-9-one (3), 2 beta-methoxyclovan-9 beta-ol (4), and clovan-2,9-dione (6). Compounds 3, 4, 8, and 9 are described for the first time.

  DOI：

  10.1021/np9801054
• 作为产物：
  描述：

  2β-methoxyclovan-9-one 在 lithium aluminium tetrahydride 作用下， 以 甲醚 为溶剂， 反应 24.0h， 以65%的产率得到9β-hydroxy-2β-methoxyclovane
  参考文献：
  名称：

  The Biotransformation of Some Clovanes by Botrytis cinerea

  摘要：

  The metabolism of the fungistatic agent 2 beta-methoxyclovan-9 alpha-ol (2) by the fungus Botrytis cinerea has been investigated. Biotransformation of compound 2 yielded compounds 3-5, 7, and 9. The major metabolites of compound 2 each show much reduced biological activity when compared with the parent compound. Also studied were the effects of B. cinerea on the metabolism of the related compounds 2 beta-methoxyclovan-9-one (3), 2 beta-methoxyclovan-9 beta-ol (4), and clovan-2,9-dione (6). Compounds 3, 4, 8, and 9 are described for the first time.

  DOI：

  10.1021/np9801054

文献信息

• The Biotransformation of Some Clovanes by <i>Botrytis cinerea</i>
  作者：Isidro G. Collado、James R. Hanson、Antonio J. Macías-Sánchez、D. Mobbs

  DOI：10.1021/np9801054

  日期：1998.11.1

  The metabolism of the fungistatic agent 2 beta-methoxyclovan-9 alpha-ol (2) by the fungus Botrytis cinerea has been investigated. Biotransformation of compound 2 yielded compounds 3-5, 7, and 9. The major metabolites of compound 2 each show much reduced biological activity when compared with the parent compound. Also studied were the effects of B. cinerea on the metabolism of the related compounds 2 beta-methoxyclovan-9-one (3), 2 beta-methoxyclovan-9 beta-ol (4), and clovan-2,9-dione (6). Compounds 3, 4, 8, and 9 are described for the first time.