3β-hydroxy-5α,6α-epoxy-β-ionone-2α-Oβ-D-glucopyranoside peracetate | 1054809-83-4

• 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: 3β-hydroxy-5α,6α-epoxy-β-ionone-2α-Oβ-D-glucopyranoside peracetate
• 英文别名: [(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[[(1S,3R,4R,6R)-4-acetyloxy-2,2,6-trimethyl-1-[(E)-3-oxobut-1-enyl]-7-oxabicyclo[4.1.0]heptan-3-yl]oxy]oxan-2-yl]methyl acetate
• CAS: 1054809-83-4
• 化学式: C₂₉H₄₀O₁₄
• 分子量: 612.628
• InChiKey: UPJAKQJQIFEWCQ-YESPFBEVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  43
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  180
• 氢给体数：
  0
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  3β-hydroxy-5α,6α-epoxy-β-ionone-2α-Oβ-D-glucopyranoside 、 乙酸酐 在 吡啶 作用下， 生成 3β-hydroxy-5α,6α-epoxy-β-ionone-2α-Oβ-D-glucopyranoside peracetate
  参考文献：
  名称：

  Phytochemical Constituents from Salsola tetrandra

  摘要：

  The new norisoprenoid 3 beta-hydroxy-5 alpha,6 alpha-epoxy-beta-ionone-2 alpha-O-beta-D-glucopyranoside ( 1) and the long-chain hydroxy fatty acids 9,12,13-trihydroxyoctadeca-10(E), 15(Z)-dienoic acid ( 2) and 9,12,13-trihydroxyoctadeca-10( E)-dienoic acid ( 3) were isolated from Salsola tetrandra aerial parts, together with 3,4,5-trimethoxyphenyl-beta-D-glucopyranoside ( 4), 9-hydroxylinaloyl glucoside ( 5), taxiphyllin ( 6), trans-N-feruloyltyramine ( 7), and S-(-)-trans-N-feruloyloctopamine ( 8). Their structures were elucidated by extensive spectroscopic analysis and chemical methods. Compounds 6 and 8 displayed mild antibacterial activity against Staphylococcus aureus, whereas compound 6 showed the highest activity in the Artemia salina bioassay.

  DOI：

  10.1021/np060222w