(3S,4S,4aR,5aR,6S,9aS,9bS)-4-hydroxy-3,6-bis(4-methoxyphenyl)octahydrodibenzo[b,d]furan-1,8(2H,5aH)dione | 1632146-96-3

• 分子结构分类: 有机化合物
• 英文名称: (3S,4S,4aR,5aR,6S,9aS,9bS)-4-hydroxy-3,6-bis(4-methoxyphenyl)octahydrodibenzo[b,d]furan-1,8(2H,5aH)dione
• 英文别名: (3S,4S,4aR,5aR,6S,9aS,9bS)-4-hydroxy-3,6-bis(4-methoxyphenyl)-2,3,4,4a,5a,6,7,9,9a,9b-decahydrodibenzofuran-1,8-dione
• CAS: 1632146-96-3
• 化学式: C₂₆H₂₈O₆
• 分子量: 436.505
• InChiKey: WJDULECDEWZONO-BFTMDDGPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  32
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  82.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (3aS,4S,7aR)-4-(4-methoxyphenyl)tetrahydrospiro[benzo[d][1,3]dioxole-2,1'-cyclohexan]-6(3aH)-one 在 sodium hydroxide 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 18.0h， 以86%的产率得到(3S,4S,4aR,5aR,6S,9aS,9bS)-4-hydroxy-3,6-bis(4-methoxyphenyl)octahydrodibenzo[b,d]furan-1,8(2H,5aH)dione
  参考文献：
  名称：

  Serendipitous Discovery of a Cascade Approach to Perhydrodibenzofuranones Related to the Natural Product Incarviditone

  摘要：

  The unexpected discovery of an eliminative deprotection and cyclodimerization cascade reaction sequence led to the preparation of a series of perhydrodibenzofuranones that bear a structural resemblance to the natural product incarviditone. One of the novel dimers was found to show significant antiproliferative activity towards a non-small-cell lung cancer cell line, and represents a useful lead compound for the discovery of more potent anti-cancer agents.

  DOI：

  10.1055/s-0033-1341081