ambonic acid | 17984-17-7

• 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: ambonic acid
• 英文别名: (2R,6R)-2-methyl-3-methylidene-6-[(1S,3R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-6-oxo-15-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]heptanoic acid
• CAS: 17984-17-7
• 化学式: C₃₁H₄₈O₃
• 分子量: 468.72
• InChiKey: HTNUCKDQVIZWMJ-AMIGDOOGSA-N

物化性质

• 熔点：
  147-150 °C
• 沸点：
  579.7±23.0 °C(Predicted)
• 密度：
  1.08±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  54.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  25(R)-3-oxo-24-methylenecycloartan-26-ol 在 chromium(VI) oxide 、 水 、 溶剂黄146 作用下， 以 苯 为溶剂， 反应 3.0h， 以20 mg的产率得到ambonic acid
  参考文献：
  名称：

  Triterpenoids from Mangifera indicafn1fn1Part iii in the series Triterpenoids from Mangifera indica. For part ii see Anjaneyulu et al., 1989.

  摘要：

  Two new triterpenoids, 25(R)-3-oxo-24-methylene cycloartan-26-ol and psi-taraxastanonol have been isolated from the neutral fraction of the stem-bark of Mangifera indica (var/cv sarikhas). The acidic fraction of the same extract yielded three new tetracyclic triterpenoids, 3-oxo-23(R or S)-hydroxy cycloart-24-en-26-oic acid and both C-23 epimers of 3 beta,23-dihydroxy cycloart-24-en-26-oic acid. The structures were elucidated by spectroscopic and chemical methods. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0031-9422(98)00656-6

文献信息

• Triterpenoids from Mangifera indicafn1fn1Part iii in the series Triterpenoids from Mangifera indica. For part ii see Anjaneyulu et al., 1989.
  作者：V Anjaneyulu、P Satyanarayana、K.N Viswanadham、V.G Jyothi、K.Nageswara Rao、P Radhika

  DOI：10.1016/s0031-9422(98)00656-6

  日期：1999.4

  Two new triterpenoids, 25(R)-3-oxo-24-methylene cycloartan-26-ol and psi-taraxastanonol have been isolated from the neutral fraction of the stem-bark of Mangifera indica (var/cv sarikhas). The acidic fraction of the same extract yielded three new tetracyclic triterpenoids, 3-oxo-23(R or S)-hydroxy cycloart-24-en-26-oic acid and both C-23 epimers of 3 beta,23-dihydroxy cycloart-24-en-26-oic acid. The structures were elucidated by spectroscopic and chemical methods. (C) 1999 Elsevier Science Ltd. All rights reserved.