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(1S,3R,4S,4'S,5S,6R,8S,9S,10S,11R,13S,14R)-13-ethenyl-14-methoxy-4,5,10-trimethyl-4',9-bis(phenylmethoxy)spiro[2,7,12-trioxatricyclo[9.4.0.03,8]pentadecane-6,2'-oxolane] | 259258-11-2

中文名称
——
中文别名
——
英文名称
(1S,3R,4S,4'S,5S,6R,8S,9S,10S,11R,13S,14R)-13-ethenyl-14-methoxy-4,5,10-trimethyl-4',9-bis(phenylmethoxy)spiro[2,7,12-trioxatricyclo[9.4.0.03,8]pentadecane-6,2'-oxolane]
英文别名
——
(1S,3R,4S,4'S,5S,6R,8S,9S,10S,11R,13S,14R)-13-ethenyl-14-methoxy-4,5,10-trimethyl-4',9-bis(phenylmethoxy)spiro[2,7,12-trioxatricyclo[9.4.0.03,8]pentadecane-6,2'-oxolane]化学式
CAS
259258-11-2
化学式
C35H46O7
mdl
——
分子量
578.746
InChiKey
DPAHFXGQOOREJW-HXPMHADVSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    5.5
  • 重原子数:
    42
  • 可旋转键数:
    8
  • 环数:
    6.0
  • sp3杂化的碳原子比例:
    0.6
  • 拓扑面积:
    64.6
  • 氢给体数:
    0
  • 氢受体数:
    7

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
    • 1
    • 2
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

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文献信息

  • Stereocontrolled Synthesis of the JKLM Ring Fragment of Ciguatoxin
    作者:Makoto Sasaki、Masayuki Inoue、Kuniyuki Takamatsu、Kazuo Tachibana
    DOI:10.1021/jo990988j
    日期:1999.12.1
    A highly stereocontrolled synthesis of the JKLM ring fragment of ciguatoxin has been achieved. The present synthesis starts with methyl 4,6-O-benzylidene-2-deoxy-2-C-methyl-a-D whose configurations and substituents at C2-C5 correspond to those at C46-C49 of ciguatoxin, and involves as the key step base-induced 7-endo selective cyclization of a hydroxy epoxide for the efficient construction of the fully substituted oxepane ring K. Construction of the spiroether ring M was achieved by introduction of an allyl group to the ring L lactone followed by asymmetric dihydroxylation to install the C54 stereogenic center and acid-induced spiroketalization to furnish the protected KLM ring system. Finally, ring J was constructed by the method of Nicolaou to complete the synthesis of the JKLM ring fragment. The synthesis of a carboxylic acid derivative and its conjugation to carrier proteins to give an artificial antigen for development of an immunoassay system for the parent toxin molecule are also reported.
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