Chinese Journal of Magnetic Resonance ›› 2015, Vol. 32 ›› Issue (3): 518-527.doi: 10.11938/cjmr20150313

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NMR Characteristics and Crystal Structure of Cytarabine HepDirect Prodrug MB07133

WANG Ming,WANG Min-chang*,ZHAO Xiao-jing,SU Peng-fei,PAN Qing,CHEN Zhi-qun,LI Xiao-yu   

  1. Xi´an Modern Chemistry Research Institute, Xi´an 710065, China
  • Received:2014-08-27 Revised:2015-07-24 Online:2015-09-05 Published:2015-09-05
  • About author:*Corresponding author:WANG Min-chang, Tel: +86-029-88291664, E-mail: wmc204@163.com

Abstract:

The structure of the title compound (MB07133) was determined by one-dimensional (i.e., 1H and 13C NMR) and two-dimensional (i.e., 1H-1H COSY, gHSQC and gHMBC) NMR techniques. The 1H and 13C NMR chemical shifts were assigned. The crystal structure of the compound was determined using X-ray single crystal diffraction. The spectral feature and crystal structure of the compound, as well as the structure-function relationship with respective to its use as a prodrug, were discussed.

Key words: NMR, cytarabine HepDirect prodrug, MB07133, 2D NMR, crystal structure, single crystal diffraction

CLC Number: