CAJ | 학술논문

该文采用核磁共振的氢谱、碳谱和相关谱技术,同时结合质谱和红外光谱等技术,对DX-1002的化学结构进行解析。结果表明DX-1002的氢谱(1H-NMR)和碳谱(13C-NMR)各个化学位移值与DX-1002各个氢原子和碳原子的归属一致；结合同核化学位移相关谱(gCOSY)、异核多量子关系谱(gHMQC)、核欧佛豪瑟效应频谱(NOESY)等综合分析,确定分子的空间结构；然后综合质谱和红外光谱确定DX-1002的化学结构为(E)-3-(3＂-羟基-4＂-甲氧苯基)-2-(3＇,4＇,5＇-三甲氧基苯基)丙烯酸正丁铵盐。
해문채용핵자공진적경보、탄보화상관보기술,동시결합질보화홍외광보등기술,대DX-1002적화학결구진행해석。결과표명DX-1002적경보(1H-NMR)화탄보(13C-NMR)각개화학위이치여DX-1002각개경원자화탄원자적귀속일치；결합동핵화학위이상관보(gCOSY)、이핵다양자관계보(gHMQC)、핵구불호슬효응빈보(NOESY)등종합분석,학정분자적공간결구；연후종합질보화홍외광보학정DX-1002적화학결구위(E)-3-(3＂-간기-4＂-갑양분기)-2-(3＇,4＇,5＇-삼갑양기분기)병희산정정안염。
The spectrums of 1H-NMR and 13C-NMR and others in combination with MS and IR were applied to analyze the chemical structure of tumor angiogenesis inhibitor DX-1002. Experimental results indicate that the chemical shifts of the 1H-NMR and 13C-NMR are consistent with the hydrogen atoms and carbon atoms of DX-1002. The spatial structure of molecules was determined on the basis of gCOSY,gHMQC and NOESY. And then the chemical structure of DX-1002 was confirmed via mass spectrum and infrared spectrum to be (E)-3-(3"-hydroxy-4"-methoxyl phenyl)-2-(3',4',5'-triethoxyphenyl) N-butyl acrylate ammonium salt.