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1、2D NMR 图谱结构鉴定结构鉴定: : 化合物化合物2-1 H-21aH-21bH-4H-3Me-23Me-201H NMR of 2-1H-2C-1C-22C-9C-10C-4C-21C-3C-19C-2013C NMR of 2-1C-2H-4H-3H-2Me-20H-18H-15H-14H-13aH-16aH-17aH-6H-7a1H,1H-COSYH-11aH-12aHMBC （高场区）C-3C-7H-19aH-3C-2C-18Me-20C-19H-21aH-21bC-8C-6C-5H-4检测的是核与核之间的关系检测的是核与核之间的关系Direct H-C correlations
2、(HSQC)Interaction between H and C atoms through one bond.1JC-H correlations C-1H-1Spectrum 13C1H Spectrum1H-1H correlations (COSY) Proton interaction trough three bonds. 3JH-H correlationsH-1H-2Spectrum 1Spectrum 1适用于重叠峰耦合的判断适用于重叠峰耦合的判断Long-range 13C-1H correlations (HMBC).Interaction between 13 and
3、 1 nuclei trough two and three bonds.HMBC peaks corresponding to 2- and 3-bonds correlationsare undistinguishable! -1H-i H-k Spectrum 13Spectrum 1Nuclear Overhauser Effect (NOE)Interaction between 1H-1 and 1H-2 when they are distanced in the space by r 5 .NOE produced NOESY / ROESY 2D NMR spectra.r
4、2D NMR2D NMR图谱的解析图谱的解析Organic Structure Analysis, Crews, Rodriguez and JasparsSTRATEGY BASED ON C-H CONNECTIVITY&HMBC data is ambiguous (2 or 3 bond correlations impossible to tell which)Organic Structure Analysis, Crews, Rodriguez and JasparsSTRATEGY BASED ON C-H CONNECTIVITY HSQC DATA A B C D E F
5、dCabcddeflabel protons in lower case lettersOrganic Structure Analysis, Crews, Rodriguez and JasparsSTRATEGY BASED ON C-H CONNECTIVITY HSQC DATAATOMdC (ppm)DEPTdH (ppm)A131CH5.5B124CH5.2C68CH4.0D42CH23.02.5E23CH31.5F17CH31.2Organic Structure Analysis, Crews, Rodriguez and JasparsSTRATEGY BASED ON C-
6、H CONNECTIVITY HSQC DATAOrganic Structure Analysis, Crews, Rodriguez and JasparsSTRATEGY BASED ON C-H CONNECTIVITY HSQC DATAOrganic Structure Analysis, Crews, Rodriguez and JasparsSTRATEGY BASED ON C-H CONNECTIVITY HSQC DATAOrganic Structure Analysis, Crews, Rodriguez and JasparsSTRATEGY BASED ON C-H CONNECTIVITY HSQC DATAdiastereotopic protons为什么没有C-C相关谱？天然丰度低，天然丰度低，1%1%，相关的几率，相关的几率1/100001/10000需要大量的样品，要求溶解性极高需要大量的样品，要求溶解性极高需要很长的累积（次数）时间需要很长的累积（次数）时间
