Operculin XVI | 139446-48-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Operculin XVI
• 英文别名: [(2S,3R,4R,5S,6S)-6-methyl-2-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25S,26S)-7,25,26-trihydroxy-24-(hydroxymethyl)-5-methyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] dodecanoate
• CAS: 139446-48-3
• 化学式: C₅₈H₁₀₂O₂₅
• 分子量: 1199.43
• InChiKey: AFBYODXKYQANPM-YHRSACCKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  83
• 可旋转键数：
  24
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.97
• 拓扑面积：
  367
• 氢给体数：
  11
• 氢受体数：
  25

反应信息

• 作为反应物：
  描述：

  Operculin XVI 在 氢氧化钾 作用下， 反应 1.0h， 以4 mg的产率得到Operculinic acid B
  参考文献：
  名称：

  Resin Glycosides. XI. Operculins III, IV, IX, X, XVI, XVII and XVIII, New Ether-Soluble Resin Glycosides of Rhizoma Jalapae Braziliensis (Root of Ipomoea operculata).

  摘要：

  Ten ether-soluble resin glycosides (jalapins), operculins IX-XVIII, were isolated from Rhizoma Jalapae Braziliensis (roots of Ipomoea operculata). Operculins III and IV previously obtained, and operculins IX, X, XVI, XVII and XVIII were characterized on the bases of chemical and spectral data. All of them have a common glycosidic acid, operculinic acid B, with a macrocyclic ester structure and n-decanoyl and/or n-dodecanoyl residues as organic acid groups.

  DOI：

  10.1248/cpb.39.2534