1,3,4,6,8,10,11,13-Octahydroxy-2,5,9,12-tetramethyl-phenanthro[1,10,9,8-opqra]perylene-7,14-dione

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 1,3,4,6,8,10,11,13-Octahydroxy-2,5,9,12-tetramethyl-phenanthro[1,10,9,8-opqra]perylene-7,14-dione
• 英文别名: 5,7,11,13,16,18,22,24-Octahydroxy-6,12,17,23-tetramethyloctacyclo[13.11.1.12,10.03,8.04,25.019,27.021,26.014,28]octacosa-1,3,5,7,10,12,14(28),15(27),16,18,21,23,25-tridecaene-9,20-dione
• 化学式: C₃₂H₂₀O₁₀
• 分子量: 564.505
• InChiKey: ZNGHFEFDMABYEB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.9
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  196
• 氢给体数：
  8
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  1,3,6,8-Tetrahydroxy-2,7-dimethyl-10H-anthracen-9-one 在 lead(IV) acetate 作用下， 生成 1,3,4,6,8,10,11,13-Octahydroxy-2,5,9,12-tetramethyl-phenanthro[1,10,9,8-opqra]perylene-7,14-dione
  参考文献：
  名称：

  Hypericin, Hypocrellin, and Model Compounds:  Steady-State and Time-Resolved Fluorescence Anisotropies

  摘要：

  Steady-state and time-resolved fluorescence anisotropies of hypericin, hypocrellin, and five other analogues have been measured. The steady-state excitation anisotropies for each of these compounds has a broad minimum at similar to 400 nm with a negative value. At the blue and red edges of the spectrum the value of the anisotropy is positive. Time-resolved fluorescence anisotropy measurements were performed for both hypericin and hypocrellin at excitation wavelengths of 300 and 570 nm. The limiting anisotropies are in excellent agreement with the corresponding steady-state values. These results are discussed in terms of the directions of the transition dipoles connecting the ground state to various excited states. The role of conformational isomers and tautomers in the ground and excited states is also considered.

  DOI：

  10.1021/jp973059+

文献信息

• Hypericin, Hypocrellin, and Model Compounds:  Steady-State and Time-Resolved Fluorescence Anisotropies
  作者：K. Das、E. Dertz、J. Paterson、W. Zhang、G. A. Kraus、J. W. Petrich

  DOI：10.1021/jp973059+

  日期：1998.2.1

  Steady-state and time-resolved fluorescence anisotropies of hypericin, hypocrellin, and five other analogues have been measured. The steady-state excitation anisotropies for each of these compounds has a broad minimum at similar to 400 nm with a negative value. At the blue and red edges of the spectrum the value of the anisotropy is positive. Time-resolved fluorescence anisotropy measurements were performed for both hypericin and hypocrellin at excitation wavelengths of 300 and 570 nm. The limiting anisotropies are in excellent agreement with the corresponding steady-state values. These results are discussed in terms of the directions of the transition dipoles connecting the ground state to various excited states. The role of conformational isomers and tautomers in the ground and excited states is also considered.