4-{(S)-2-[(1S,2R,5S,8aS)-2,5-Dimethyl-5-(4-methyl-pent-4-enyl)-1,2,3,5,6,7,8,8a-octahydro-naphthalen-1-yl]-1-hydroxy-ethyl}-5-hydroxy-5H-furan-2-one

• 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: 4-{(S)-2-[(1S,2R,5S,8aS)-2,5-Dimethyl-5-(4-methyl-pent-4-enyl)-1,2,3,5,6,7,8,8a-octahydro-naphthalen-1-yl]-1-hydroxy-ethyl}-5-hydroxy-5H-furan-2-one
• 英文别名: 3-[(1S)-2-[(1S,2R,5S,8aS)-2,5-dimethyl-5-(4-methylpent-4-enyl)-2,3,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-1-hydroxyethyl]-2-hydroxy-2H-furan-5-one
• 化学式: C₂₄H₃₆O₄
• 分子量: 388.547
• InChiKey: BCSBHMAHHNSGRQ-JOXOKIMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (S)-2-[(1S,2R,5S,8aS)-2,5-Dimethyl-5-(4-methyl-pent-4-enyl)-1,2,3,5,6,7,8,8a-octahydro-naphthalen-1-yl]-1-furan-3-yl-ethanol 在 氧气 、 rose bengal 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 以48%的产率得到4-{(S)-2-[(1S,2R,5S,8aS)-2,5-Dimethyl-5-(4-methyl-pent-4-enyl)-1,2,3,5,6,7,8,8a-octahydro-naphthalen-1-yl]-1-hydroxy-ethyl}-5-hydroxy-5H-furan-2-one
  参考文献：
  名称：

  Synthesis of the novel analogues of dysidiolide and their structure–activity relationship

  摘要：

  The novel analogues of natural cdc25A inhibitor dysidiolide were synthesized. To investigate the structure-activity relationship, the inhibitory activity to enzyme and cell cycle was examined. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00527-8

文献信息

• Synthesis of the novel analogues of dysidiolide and their structure–activity relationship
  作者：Masato Takahashi、Kosuke Dodo、Yoshikazu Sugimoto、Yoshimi Aoyagi、Yuji Yamada、Yuichi Hashimoto、Ryuichi Shirai

  DOI：10.1016/s0960-894x(00)00527-8

  日期：2000.11

  The novel analogues of natural cdc25A inhibitor dysidiolide were synthesized. To investigate the structure-activity relationship, the inhibitory activity to enzyme and cell cycle was examined. (C) 2000 Elsevier Science Ltd. All rights reserved.