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Chem-806 Identification of organic and inorganic compounds by advance NMR techniques

Chem-806 Identification of organic and inorganic compounds by advance NMR techniques. Tool box 2D-NMR: Homonuclear 2D-NMR: Heteronuclear 3D-NMR. Hetcor. HETCOR of 3-Heptanone. HETCOR of tetraacetyl methoxy glucose. H-1. 6a. 6b. H-5. XCOR: HETCOR with BIRD pulse at mid evolution.

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Chem-806 Identification of organic and inorganic compounds by advance NMR techniques

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  1. Chem-806Identification of organic and inorganic compounds by advance NMR techniques Tool box 2D-NMR: Homonuclear 2D-NMR: Heteronuclear 3D-NMR

  2. Hetcor

  3. HETCOR of 3-Heptanone

  4. HETCOR of tetraacetyl methoxy glucose H-1 6a 6b H-5

  5. XCOR: HETCOR with BIRD pulse at mid evolution

  6. HETCOR vs XCOR

  7. Relay HETCOR 8 6 7 1 4 5 3 1 1 8 7 3 6 4 5 3 8 4/5 6 7 C8/H7

  8. Relay HETCOR 5 4 H2->C3 3 2 H1->C2 H2->C2 H1->C1 H2->C1 1 1 2

  9. COLOC

  10. COLOC

  11. COLOC

  12. COSY C4H8OH: HMQC CH3 CH2 OH CH2 CH3 – CH2 – CH2 – OH CH3 CH2 CH2

  13. CH2 - O c d b a C5H8O2 4 b CH2 3 c CH2 a CH2 d CH2 C=O 2 O 5

  14. C5H8O2 2 5 3 4 C3 C4 C2 C5

  15. 1H Decoupled 1H Coupled HMQC C5 C5 C4 C4 C2

  16. HMQC/HSQC

  17. HMBC

  18. Which isomer is responsible of that spectra?

  19. NOESY H4 H3 OMe H5

  20. HSQC H8/C8 H5/C5 H3/C3 H4/C4

  21. HMBC 6 10 2 7 9 C8 C10 C5 C4/6 C6 C9 C6 C9 C7 C2

  22. Examples Example of homonuclear 2D technique On Cyclic peptide A few examples: Pinanediol A few examples: ipsenol More examples: Unknown example A few examples: Taxol A few examples: AN-2032 A few examples: Oxyde Miscellaneous topics: HOESY, DOSY, etc... 3D-NMR : protein assignment

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