(1R,2S,3S,4S,5S,6R,7R,9S,10R)-2β,3β,6β-triacetoxy-1α,9β-dibenzoyloxy-4β-hydroxydihydro-(15α)-β-agarofuran | 142837-29-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (1R,2S,3S,4S,5S,6R,7R,9S,10R)-2β,3β,6β-triacetoxy-1α,9β-dibenzoyloxy-4β-hydroxydihydro-(15α)-β-agarofuran
• 英文别名: [(1S,2S,3S,4S,5R,6R,7S,9R,12R)-3,4,12-triacetyloxy-5-benzoyloxy-2-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] benzoate
• CAS: 142837-29-4
• 化学式: C₃₅H₄₀O₁₂
• 分子量: 652.695
• InChiKey: NLLWBYKHGZHEAR-WRYVBYHSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  47
• 可旋转键数：
  12
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  161
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  乙酸酐 、 (1R,2S,3S,4S,5S,6R,7R,9S,10R)-2-Acetoxy-1,9-dibenzoyloxy-3,4,6-trihydroxy-dihydro-β-agarofuran 在 吡啶 作用下， 反应 16.0h， 以2 mg的产率得到(1R,2S,3S,4S,5S,6R,7R,9S,10R)-2β,3β,6β-triacetoxy-1α,9β-dibenzoyloxy-4β-hydroxydihydro-(15α)-β-agarofuran
  参考文献：
  名称：

  New sesquiterpenes fromMaytenus species (Celastraceae). Taxonomic and chemotaxonomic considerations concerning chileanMaytenus

  摘要：

  Three new dihydro-beta-agarofuran sesquiterpenes from two species of Maytenus were isolated and their structures were elucidated by means of H-1 and C-13 NMR studies. The differences and similarities noted in the chemical content of the dihydro-beta-agarofuran sesquiterpenes from the four Maytenus species from Chile are in line with the taxonomic characterization of these species; their geographical distribution is also given.

  DOI：

  10.1007/bf02059580