cycloorbicoside D | 726139-65-7

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: cycloorbicoside D
• CAS: 726139-65-7
• 化学式: C₃₈H₆₀O₁₀
• 分子量: 676.888
• InChiKey: INVKKQHVQYJZSI-KCNVVIOTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.53
• 重原子数：
  48.0
• 可旋转键数：
  9.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  145.66
• 氢给体数：
  2.0
• 氢受体数：
  10.0

反应信息

• 作为反应物：
  描述：

  cycloorbicoside D 在 硫酸 作用下， 以 甲醇 为溶剂， 反应 3.0h， 以170 mg的产率得到cycloorbigenin C
  参考文献：
  名称：

  Triterpene Glycosides of Astragalus and Their Genins. LXVIII. Cycloorbigenin C, a New Cycloartane Genin

  摘要：

  The new triterpenoid cycloartane cycloorbigenin C, the structure of which is 23xi,24xi-cycloartan-3beta,6alpha,16beta,23,24,25-hexaol, was obtained from the aerial part of Astragalus orbiculatus Ledeb. (Leguminosae). The structure of cycloorbigenin C was proved using chemical transformations, IR spectroscopy, electron-impact mass spectrometry, and PMR and C-13 NMR spectra interpreted using J-modulation and the 2D NMR spectroscopies: H-1-H-1 COSY, TOCSY, ROESY, HSQC, and HMBC.

  DOI：

  10.1023/b:conc.0000011122.41260.98
• 作为产物：
  描述：

  cycloorbigenin C 在 吡啶 、 硫酸 、 溶剂黄146 作用下， 反应 168384.0h， 生成 cycloorbicoside D
  参考文献：
  名称：

  Triterpene Glycosides of Astragalus and Their Genins. LXVIII. Cycloorbigenin C, a New Cycloartane Genin

  摘要：

  The new triterpenoid cycloartane cycloorbigenin C, the structure of which is 23xi,24xi-cycloartan-3beta,6alpha,16beta,23,24,25-hexaol, was obtained from the aerial part of Astragalus orbiculatus Ledeb. (Leguminosae). The structure of cycloorbigenin C was proved using chemical transformations, IR spectroscopy, electron-impact mass spectrometry, and PMR and C-13 NMR spectra interpreted using J-modulation and the 2D NMR spectroscopies: H-1-H-1 COSY, TOCSY, ROESY, HSQC, and HMBC.

  DOI：

  10.1023/b:conc.0000011122.41260.98

文献信息

• Triterpene Glycosides of Astragalus and Their Genins. LXVIII. Cycloorbigenin C, a New Cycloartane Genin
  作者：R. P. Mamedova、M. A. Agzamova、M. I. Isaev

  DOI：10.1023/b:conc.0000011122.41260.98

  日期：2003.9

  The new triterpenoid cycloartane cycloorbigenin C, the structure of which is 23xi,24xi-cycloartan-3beta,6alpha,16beta,23,24,25-hexaol, was obtained from the aerial part of Astragalus orbiculatus Ledeb. (Leguminosae). The structure of cycloorbigenin C was proved using chemical transformations, IR spectroscopy, electron-impact mass spectrometry, and PMR and C-13 NMR spectra interpreted using J-modulation and the 2D NMR spectroscopies: H-1-H-1 COSY, TOCSY, ROESY, HSQC, and HMBC.