integristerone A 25-acetate | 269739-15-3

• 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: integristerone A 25-acetate
• 英文别名: [(5R,6R)-5,6-dihydroxy-2-methyl-6-[(1S,2R,3R,5R,9R,10R,13R,14S,17S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-6-oxo-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]heptan-2-yl] acetate
• CAS: 269739-15-3
• 化学式: C₂₉H₄₆O₉
• 分子量: 538.679
• InChiKey: QMXDANIONYZQEX-NAIDWPAJSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  165
• 氢给体数：
  6
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  integristerone A 25-acetate 在 potassium hydrogencarbonate 作用下， 以 甲醇 为溶剂， 反应 48.0h， 以17 mg的产率得到integristerone A
  参考文献：
  名称：

  Phytoecdysteroids of plants of the genusSilene XX. Integristerone A 25-acetate fromSilene brahuica

  摘要：

  A new ecdysteroid - integristerone A 25-acetate - has been isolated from the roots of Silene brahuica Boiss. Its structure has been determined on the basis of chemical transformations and spectral characteristics.

  DOI：

  10.1007/bf02282513
• 作为产物：
  描述：

  sileneoside H 在 enzyme preparation from sweet almonds 作用下， 反应 720.0h， 生成 integristerone A 25-acetate
  参考文献：
  名称：

  Sileneoside H, a New Phytoecdysteroid from Silene brahuica

  摘要：

  Sileneoside H (1), a new phytoecdysteroid, has been isolated from the roots of Silene brahuica and identified as 22-O-alpha-D-galactosylintegristerone A 25-acetate by MS and NMR analysis.

  DOI：

  10.1021/np990609h

文献信息

• Phytoecdysteroids of plants of the genusSilene XX. Integristerone A 25-acetate fromSilene brahuica
  作者：Z. T. Sadikov、Z. Saatov

  DOI：10.1007/bf02282513

  日期：1999.7

  A new ecdysteroid - integristerone A 25-acetate - has been isolated from the roots of Silene brahuica Boiss. Its structure has been determined on the basis of chemical transformations and spectral characteristics.
• Sileneoside H, a New Phytoecdysteroid from <i>Silene </i><i>brahuica</i>
  作者：Z. T. Sadikov、Z. Saatov、Jean-Pierre Girault、René Lafont

  DOI：10.1021/np990609h

  日期：2000.7.1

  Sileneoside H (1), a new phytoecdysteroid, has been isolated from the roots of Silene brahuica and identified as 22-O-alpha-D-galactosylintegristerone A 25-acetate by MS and NMR analysis.