13-hydroxy-2,3-dimethoxy-10,10-dimethyl-6H,10H-pyrano[2,3-c;5,6-g'] dichromium en-14-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 异黄酮类化合物
• 英文名称: 13-hydroxy-2,3-dimethoxy-10,10-dimethyl-6H,10H-pyrano[2,3-c;5,6-g'] dichromium en-14-one
• 英文别名: 13-Hydroxy-2,3-dimethoxy-10,10-dimethyl-6H,10H-pyrano[2,3-c;5,6-g']dichromen-14-on；22-Hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,14,16(21),19-octaen-2-one；22-hydroxy-6,7-dimethoxy-18,18-dimethyl-10,13,17-trioxapentacyclo[12.8.0.03,12.04,9.016,21]docosa-1(22),3(12),4,6,8,14,16(21),19-octaen-2-one
• 化学式: C₂₃H₂₀O₇
• 分子量: 408.408
• InChiKey: OAHQAFDPMFGAMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  83.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 13-hydroxy-2,3-dimethoxy-10,10-dimethyl-6H,10H-pyrano[2,3-c;5,6-g'] dichromium en-14-one 在 吡啶 作用下， 以5 mg的产率得到13-acetoxy-2,3-dimethoxy-10,10-dimethyl-6H,10H-pyrano[2,3-c;5,6-g'] dichromium en-14-one
  参考文献：
  名称：

  6a, 12a-Dehydro-.BETA.-toxicarol and Derricarpin, Two New Isoflavonoids, from the Roots of Derris oblonga BENTH.

  摘要：

  A new dehydrorotenoid, 6a, 12a-dehydro-β-toxicarol, and a new pterocarpan, derricarpin, together with a known compound, 6a, 12a-dehydro-α-toxicarol, have been isolated from the roots of Derris oblonga. Their structures were determined on the basis of spectral and chemical evidence.

  DOI：

  10.1248/cpb.41.1456
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 乙醇 、 碘 、 sodium acetate 作用下， 生成 13-hydroxy-2,3-dimethoxy-10,10-dimethyl-6H,10H-pyrano[2,3-c;5,6-g'] dichromium en-14-one
  参考文献：
  名称：

  Cahn et al., Journal of the Chemical Society, 1938, p. 513,535

  摘要：

  DOI：

文献信息

• Cahn et al., Journal of the Chemical Society, 1938, p. 513,535
  作者：Cahn et al.

  DOI：——

  日期：——
• 6a, 12a-Dehydro-.BETA.-toxicarol and Derricarpin, Two New Isoflavonoids, from the Roots of Derris oblonga BENTH.
  作者：Yun-Lian LIN、Yueh-Hsiung KUO

  DOI：10.1248/cpb.41.1456

  日期：——

  A new dehydrorotenoid, 6a, 12a-dehydro-β-toxicarol, and a new pterocarpan, derricarpin, together with a known compound, 6a, 12a-dehydro-α-toxicarol, have been isolated from the roots of Derris oblonga. Their structures were determined on the basis of spectral and chemical evidence.