7-hydroxy-5-methoxy-4,6-dimethyl-7-O-β-D-glucopyranosylphthalide | 1399770-18-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 7-hydroxy-5-methoxy-4,6-dimethyl-7-O-β-D-glucopyranosylphthalide
• 英文别名: 7-hydroxy-5-methoxy-4,6-dimethyl-7-O-beta-D-glucopyranosylphthalide；5-methoxy-4,6-dimethyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3H-2-benzofuran-1-one
• CAS: 1399770-18-3
• 化学式: C₁₇H₂₂O₉
• 分子量: 370.356
• InChiKey: AJQDABSZZKCINL-QSDFBURQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  7-hydroxy-5-methoxy-4,6-dimethyl-7-O-β-D-glucopyranosylphthalide 在 水 作用下， 生成 葡萄糖
  参考文献：
  名称：

  Two new compounds from an endophytic fungusPestalotiopsis heterocornis

  摘要：

  Two new compounds, 7-hydroxy-5-methoxy-4,6-dimethyl-7-O-alpha-L-rhamnosyl-phthalide (2) and 7-hydroxy-5-methoxy-4,6-dimethyl-7-O-beta-D-glucopyranosyl-phthalide (3), along with one known and related metabolite 7-hydroxy-5-methoxy-4,6-dimethylphthalide (1) were isolated from the EtOAc extract of fermentation broth of an endophytic fungus Pestalotiopsis heterocornis. The structures of these compounds were elucidated on the basis of spectroscopic methods (UV, IR, HR-ESI-MS, 1D NMR, and 2D NMR).

  DOI：

  10.1080/10286020.2011.621422