| Conformational Study of 8—C—glucosyl—prunetin by Dynamic NMR Spectroscopy |
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| 引用本文： | Xiang Yi. Conformational Study of 8—C—glucosyl—prunetin by Dynamic NMR Spectroscopy[J]. 中国化学快报, 2002, 13(7): 645-648 |
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| 作者姓名： | Xiang Yi |
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| 作者单位： | InstituteofMateriaMedica,ChineseAcademyofMedicalCollege,Beijing100050 |
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| 摘 要： | By means of variable temperature NMR spectra,conformation of 8-C-glucosyl prunetin, isolated from the leaves of Dalbergia hainanensis (Leguminosae), was studied. The restricted rotation around the C(sp^3)-C(sp^2) bond in the C-glucosides isoflavonoid results in two main conformers (syn and anti). With the help of MM calculation, the preferred conformation A has H-1″ gauche to the 7-OCH3. The barrier to rotation was 18.1 kcal/mol. This result agrees with the calculated value 16.2 kcal/mol of free energy of activation for the interconversion between the conformers.
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| 关 键 词： | 动力学核磁共振光谱 构象 8－C－葡糖基－樱黄素 |
Conformational Study of 8-C-glucosyl-prunetin by Dynamic NMR Spectroscopy |
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| Pei Cheng ZHANG,Ying Hong WANG,Xin LIU,Ruo Yun CHEN,De Quan YU. Conformational Study of 8-C-glucosyl-prunetin by Dynamic NMR Spectroscopy[J]. Chinese Chemical Letters, 2002, 13(7): 645-648 |
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| Authors: | Pei Cheng ZHANG Ying Hong WANG Xin LIU Ruo Yun CHEN De Quan YU |
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| Abstract: | By means of variable temperature NMR spectra, conformation of 8-C-glucosyl prunetin, isolated from the leaves of Dalbergia hainanensis (Leguminosae), was studied. The restricted rotation around the C (sp3)-C (sp2) bond in the C-glucosides isoflavonoid results in two main conformers (syn and anti). With the help of MM calculation, the preferred conformation A has H-1 gauche to the 7-OCH3. The barrier to rotation was 18.1 kcal/mol. This result agrees with the calculated value 16.2 kcal/mol of free energy of activation for the interconversion between the conformers. |
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| Keywords: | C-Glucosyl prunetin dynamic NMR MM calculation conformation. |
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