河北医科大学药学院2018 波谱学 What we will learn? How to use them? An Historical Glance Before 60's Chemistry 广Degradation gram quantities Derivatization CUV,IR Between 60-80's Spectra MS H-NMR mg 13C-NMR NOE,DEPT H-H COSY After 80's 2D NMR HMQC (HSQC) mg-ug HMBC NOESY (ROESY) INADEQUATE 92 天然药物化学教研室史清文教授 6
河北医科大学药学院2018 天然药物化学教研室史清文教授 6 波 谱 学 What we will learn? How to use them? 91 An Historical Glance Before 60’s Between 60-80’s After 80’s 2D NMR Chemistry Degradation Derivatization UV, IR MS 1H-NMR 13C-NMR NOE, DEPT Spectra gram quantities 1H-1H COSY HMQC (HSQC) HMBC NOESY (ROESY) INADEQUATE mg mg-µg 92
河北医科大学药学院2018 Strategy of Structure Elucidation 化合物类型和共轭体系 官能田 HR-MS 分子式：双健，环数，杂原子 CH-NMR H的个教和相互关系 ID NMR 3C-NMR◆ NOE ,SP2,Spo L DEPT H的空 ]关 C的种类C,CH,CH,CH H-H COSY H-C-C-H HMQC H-C 2D NMR HMBC H-C-C,H-C-C-C,H-C-C=C-C NOESY(ROESY)H-H conformation INADEQUATE C-C What Differences Between Them CgHaoO 天然药物化学教研室史清文教授 7
河北医科大学药学院2018 天然药物化学教研室史清文教授 7 Strategy of Structure Elucidation 1H-NMR 13C-NMR NOE DEPT 1H-1H COSY H-C-C-H HMQC H-C HMBC H-C-C, H-C-C-C, H-C-C=C-C NOESY (ROESY) H-H conformation INADEQUATE C-C 1D NMR 2D NMR UV IR HR-MS 化合物类型和共轭体系 官能团 分子式:双键,环数,杂原子 H的个数和相互关系 C的个数和SP, SP2, SP3 H的空间关系 C的种类C, CH, CH2, CH3 93 94 What Differences Between Them O OH C8H10O 1 2
河北医科大学药学院2018 What Differences Between Them 95 What Differences Between Them CgH10O2 COOH 天然药物化学教研室史清文教授 8
河北医科大学药学院2018 天然药物化学教研室史清文教授 8 95 What Differences Between Them CHO O C8H8O 1 2 96 What Differences Between Them O O 1 2 COOH O O 3 O 4 O C9H10O2
河北医科大学药学院2018 Structure Elucidation OH HaCo C10HgO4 3 Difference of IR,'H-NMR,13C-NMR 1.How to Distinguish the Structures of A and B? OH 天然药物化学教研室史清文教授 9
河北医科大学药学院2018 天然药物化学教研室史清文教授 9 97 Structure Elucidation OH O O O O O H3CO OH 1 2 Difference of IR, 1H-NMR, 13C-NMR C10H8O4 98 1. How to Distinguish the Structures of A and B? O O OH O OH A B
河北医科大学药学院2018 2.How to Distinguish the Structures of 1 and 2? 》OH OH OH OH O H-NMR? 3.How to Distinguish the Structures of 1 and 2? HO. HO. 100 天然药物化学教研室史清文教授 10
河北医科大学药学院2018 天然药物化学教研室史清文教授 10 99 2. How to Distinguish the Structures of 1 and 2? O O OH OH HO OH O O OH OH HO 1 2 OH 1H-NMR? 100 3. How to Distinguish the Structures of 1 and 2? O O OH OH HO OCH3 O O OCH3 OH HO OH 1 2