3-[(2R,6aR,8S,10aS)-8-hydroxy-7,7,10a-trimethyl-2,4,5,6,6a,8,9,10-octahydro-1H-benzo[f]isochromen-2-yl]-2H-furan-5-one | 1165946-00-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 英文名称: 3-[(2R,6aR,8S,10aS)-8-hydroxy-7,7,10a-trimethyl-2,4,5,6,6a,8,9,10-octahydro-1H-benzo[f]isochromen-2-yl]-2H-furan-5-one
• CAS: 1165946-00-8
• 化学式: C₂₀H₂₈O₄
• 分子量: 332.44
• InChiKey: CCLMKXURQJSVHY-NHAYFPRASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  alpindenoside B 在 盐酸 、 水 作用下， 反应 3.0h， 生成 L-鼠李糖 、 葡萄糖 、 3-[(2R,6aR,8S,10aS)-8-hydroxy-7,7,10a-trimethyl-2,4,5,6,6a,8,9,10-octahydro-1H-benzo[f]isochromen-2-yl]-2H-furan-5-one
  参考文献：
  名称：

  Labdane Diterpenoid Glycosides from Alpinia densespicata and Their Nitric Oxide Inhibitory Activities in Macrophages

  摘要：

  Four new labdane diterpene glycosides (1-4) named alpindenosides A, B, C, and D, two new norditerpene glycosides (5, 6) named noralpindenosides A and B, and three known flavonoid glycosides (7-9) have been isolated from the stems of Alpinia densespicata. Structural elucidation of compounds 1-6 was based on spectroscopic data. Compounds 1-9 all exhibited moderate NO inhibitory activities, whereas they were noncytotoxic at 20 mu M against several human tumor cell lines.

  DOI：

  10.1021/np900019n