methyl (8S,12R,13R)-8,12-dimethyl-19-oxo-3,18-diazaheptacyclo[18.7.1.02,18.04,17.07,16.08,13.024,28]octacosa-1(27),2,4(17),5,7(16),20,22,24(28),25-nonaene-12-carboxylate | 1235722-09-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: methyl (8S,12R,13R)-8,12-dimethyl-19-oxo-3,18-diazaheptacyclo[18.7.1.02,18.04,17.07,16.08,13.024,28]octacosa-1(27),2,4(17),5,7(16),20,22,24(28),25-nonaene-12-carboxylate
• CAS: 1235722-09-4
• 化学式: C₃₀H₂₈N₂O₃
• 分子量: 464.564
• InChiKey: DXZMFTJGXDEXIG-OENWMMNHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  35
• 可旋转键数：
  2
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  61.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,8-萘二甲酸酐 、 methyl 13,14-diaminodeisopropyldehydroabietate 在 溶剂黄146 作用下， 反应 3.0h， 以17%的产率得到methyl (8S,12R,13R)-8,12-dimethyl-19-oxo-3,18-diazaheptacyclo[18.7.1.02,18.04,17.07,16.08,13.024,28]octacosa-1(27),2,4(17),5,7(16),20,22,24(28),25-nonaene-12-carboxylate
  参考文献：
  名称：

  Syntheses, characterization and fluorescent properties of two series of dehydroabietic acid C-ring derivatives

  摘要：

  Two series of dehydroabietic acid C-ring derivatives, nitrogen-containing heterocycles (6a-9b) and C-12 substituted compounds (10a-11b), were synthesized and characterized by element analysis, IR, NMR and MS. The UV-vis absorption and fluorescence spectral characteristics of these compounds have been comparatively investigated, and their fluorescence quantum yields were further evaluated. Compared to dehydroabietic acid 1. the absorption and emission spectra of these compounds were bathochromically shifted due to the multiple aromatic rings with rigid planar structures or the larger conjugation of benzene moiety. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2010.03.014

文献信息

• Syntheses, characterization and fluorescent properties of two series of dehydroabietic acid C-ring derivatives
  作者：Yingchun Wang、Chunhua Su、Fangyao Li、Luzhi Liu、Yingming Pan、Xiurong Wu、Hengshan Wang

  DOI：10.1016/j.saa.2010.03.014

  日期：2010.8

  Two series of dehydroabietic acid C-ring derivatives, nitrogen-containing heterocycles (6a-9b) and C-12 substituted compounds (10a-11b), were synthesized and characterized by element analysis, IR, NMR and MS. The UV-vis absorption and fluorescence spectral characteristics of these compounds have been comparatively investigated, and their fluorescence quantum yields were further evaluated. Compared to dehydroabietic acid 1. the absorption and emission spectra of these compounds were bathochromically shifted due to the multiple aromatic rings with rigid planar structures or the larger conjugation of benzene moiety. (C) 2010 Elsevier B.V. All rights reserved.