tetrahydroxestoproxamine A | 1272664-94-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tetrahydroxestoproxamine A
• 英文别名: (12R,13S,27S,29S)-1,16-diazatetracyclo[25.3.1.112,16.013,29]dotriacontane
• CAS: 1272664-94-4
• 化学式: C₃₀H₅₆N₂
• 分子量: 444.788
• InChiKey: FLNXBBNWRRDGNZ-ZXYZSCNASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.8
• 重原子数：
  32
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  tetrahydroxestoproxamine A 在 Amberlite IRA-400 OH(-) form 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Xestoproxamines A−C from Neopetrosia proxima. Assignment of Absolute Stereostructure of Bis-piperidine Alkaloids by Integrated Degradation-CD Analysis

  摘要：

  The complete stereostructures of xestoproxamines A-C, from the Bahamian sponge Neopetrosia proxima, were assigned from spectroscopic analysis, including MS, 2D NMR, and integrated degradation-CD analysis. Two new CD application protocols are described for defining absolute configuration: one for allylic methyl groups in branched chains and a second for the heterocyclic core bis-piperidine with Specific applicability to other members of this class alkaloids-known for their stereoheterogeneity-and tertiary cyclic amines in general.

  DOI：

  10.1021/np1008637
• 作为产物：
  描述：

  xestoproxamine A bis(trifluoroacetate) 在 palladium 10% on activated carbon 、 氢气 、 溶剂黄146 、 二乙胺 作用下， 以 甲醇 、 异丙醇 、 乙腈 为溶剂， 以0.55 mg的产率得到tetrahydroxestoproxamine A
  参考文献：
  名称：

  Xestoproxamines A−C from Neopetrosia proxima. Assignment of Absolute Stereostructure of Bis-piperidine Alkaloids by Integrated Degradation-CD Analysis

  摘要：

  The complete stereostructures of xestoproxamines A-C, from the Bahamian sponge Neopetrosia proxima, were assigned from spectroscopic analysis, including MS, 2D NMR, and integrated degradation-CD analysis. Two new CD application protocols are described for defining absolute configuration: one for allylic methyl groups in branched chains and a second for the heterocyclic core bis-piperidine with Specific applicability to other members of this class alkaloids-known for their stereoheterogeneity-and tertiary cyclic amines in general.

  DOI：

  10.1021/np1008637