pterodontriol B | 1044512-56-2

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: pterodontriol B
• 英文别名: disciferatriol；(1S,4S,4aS,6S,8aS)-6-(2-hydroxypropan-2-yl)-4,8a-dimethyl-1,2,3,4a,5,6,7,8-octahydronaphthalene-1,4-diol
• CAS: 1044512-56-2
• 化学式: C₁₅H₂₈O₃
• 分子量: 256.386
• InChiKey: ODDNJYHUVXKJBI-YLXLXVFQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  pterodontriol B 在 manganese(IV) oxide 作用下， 以 二氯甲烷 为溶剂， 反应 120.0h， 生成 4β,11-dihydroxyenantioeudesmane-1-one
  参考文献：
  名称：

  Boarioside, a eudesmane glucoside from Maytenus boaria

  摘要：

  A eudesmane glucoside, named boarioside, whose aglucone is structurally related to the typical dihydro-beta-agarofuran sesquiterpenes of Celastraceae, was isolated from Maytenus boaria and its structure determined by chemical and spectroscopic means.

  DOI：

  10.1016/0031-9422(95)00348-b
• 作为产物：
  描述：

  (2R,3R,4S,5S,6R)-2-[(1S,4S,4aS,6S,8aS)-4-Hydroxy-6-(1-hydroxy-1-methyl-ethyl)-4,8a-dimethyl-decahydro-naphthalen-1-yloxy]-6-hydroxymethyl-tetrahydro-pyran-3,4,5-triol 反应 120.0h， 生成 pterodontriol B
  参考文献：
  名称：

  Boarioside, a eudesmane glucoside from Maytenus boaria

  摘要：

  A eudesmane glucoside, named boarioside, whose aglucone is structurally related to the typical dihydro-beta-agarofuran sesquiterpenes of Celastraceae, was isolated from Maytenus boaria and its structure determined by chemical and spectroscopic means.

  DOI：

  10.1016/0031-9422(95)00348-b