小分子药物结构解析 General structure elucidation procedure: 1.Determine molecular formula by MS 2.Degree of Unsaturation =[2+(2 x #Carbons)+#Nitrogens- #Hydrogens-#Halogens]/2 3.Acquire 1H,HSQC and HMBC,write down chemical shifts and build connectivity 4.Acquire 1D TOCSY NOESY to resolve ambiguity 5.Draw a tentative structure and check consistency with spectra Note:the presence of peaks can be proof of nuclear and its connectivity the absence of peaks can NOT be proof of no connectivity!小分子药物结构解析 General structure elucidation procedure: 1. Determine molecular formula by MS 2. Degree of Unsaturation = [2 + (2 x #Carbons) + #Nitrogens - #Hydrogens - #Halogens]/2 3. Acquire 1H, HSQC and HMBC, write down chemical shifts and build connectivity 4. Acquire 1D TOCSY & NOESY to resolve ambiguity 5. Draw a tentative structure and check consistency with spectra Note: the presence of peaks can be proof of nuclear and its connectivity the absence of peaks can NOT be proof of no connectivity!