Lignin_cw_compound_3021 (C33 H34 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 590.61706
This is of the category: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GAcMe | 20.58 | 1 |
| C5 | CGOMe | 51.54 | 1 |
| C4 | BGOMe | 51.57 | 1 |
| C2 | A4OMe | 55.97 | 1 |
| C3 | A3OMe | 56.14 | 1 |
| C21 | G | 63.49 | 1 |
| C33 | A | 79.32 | 1 |
| C30 | B | 79.81 | 1 |
| C20 | A2 | 112.17 | 1 |
| C17 | A5 | 112.47 | 1 |
| C18 | BB | 116.49 | 1 |
| C19 | CB | 116.55 | 1 |
| C8 | C2 | 117.27 | 1 |
| C9 | C6 | 117.27 | 1 |
| C6 | B2 | 117.41 | 1 |
| C7 | B6 | 117.41 | 1 |
| C12 | A6 | 120.88 | 1 |
| C24 | C1 | 128.55 | 1 |
| C23 | B1 | 128.74 | 1 |
| C25 | A1 | 130.09 | 1 |
| C13 | B3 | 130.53 | 1 |
| C14 | B5 | 130.53 | 1 |
| C15 | C3 | 130.61 | 1 |
| C16 | C5 | 130.61 | 1 |
| C19 | CA | 144.81 | 1 |
| C18 | BA | 144.81 | 1 |
| C28 | A4 | 150.38 | 1 |
| C29 | A3 | 150.43 | 1 |
| C27 | C4 | 160.24 | 1 |
| C26 | B4 | 161.18 | 1 |
| C32 | CG | 167.66 | 1 |
| C31 | BG | 167.69 | 1 |
| C22 | GAcC=O | 170.79 | 1 |
| H46 | GAcMe | 1.920 | 1 |
| H45 | GAcMe | 1.920 | 1 |
| H44 | GAcMe | 1.920 | 1 |
| H55 | BGOMe | 3.694 | 1 |
| H53 | BGOMe | 3.694 | 1 |
| H54 | BGOMe | 3.694 | 1 |
| H57 | CGOMe | 3.712 | 1 |
| H58 | CGOMe | 3.712 | 1 |
| H56 | CGOMe | 3.712 | 1 |
| H49 | A4OMe | 3.736 | 1 |
| H48 | A4OMe | 3.736 | 1 |
| H47 | A4OMe | 3.736 | 1 |
| H52 | A3OMe | 3.759 | 1 |
| H50 | A3OMe | 3.759 | 1 |
| H51 | A3OMe | 3.759 | 1 |
| H74 | G1 | 4.460 | 1 |
| H75 | G2 | 4.507 | 1 |
| H76 | B | 5.084 | 1 |
| H77 | A | 5.629 | 1 |
| H72 | CB | 6.343 | 1 |
| H71 | BB | 6.378 | 1 |
| H70 | A5 | 6.888 | 1 |
| H61 | C2 | 6.992 | 1 |
| H62 | C6 | 6.992 | 1 |
| H60 | B2 | 7.018 | 1 |
| H59 | B6 | 7.018 | 1 |
| H65 | A6 | 7.073 | 1 |
| H73 | A2 | 7.161 | 1 |
| H68 | C3 | 7.527 | 1 |
| H69 | C5 | 7.527 | 1 |
| H66 | B3 | 7.570 | 1 |
| H67 | B5 | 7.570 | 1 |
| H64 | CA | 7.548 | 1 |
| H63 | BA | 7.584 | 1 |