Lignin_cw_compound_2028 (C20 H20 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 372.3686
This is of the category: b-b Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C12 | BB | 45.43 | 1 |
| C17 | B | 54.80 | 1 |
| C2 | A3OMe | 56.00 | 1 |
| C1 | B3OMe | 56.13 | 1 |
| C9 | BG | 68.66 | 1 |
| C9 | BG | 80.37 | 1 |
| C20 | G | 83.70 | 1 |
| C7 | B2 | 107.47 | 1 |
| C8 | A2 | 108.17 | 1 |
| C6 | A5 | 114.41 | 1 |
| C5 | B5 | 114.65 | 1 |
| C3 | B6 | 117.76 | 1 |
| C4 | A6 | 118.11 | 1 |
| C10 | B1 | 127.90 | 1 |
| C11 | A1 | 132.46 | 1 |
| C14 | A4 | 145.33 | 1 |
| C13 | B4 | 145.56 | 1 |
| C16 | A3 | 146.67 | 1 |
| C15 | B3 | 146.80 | 1 |
| C20 | G | 177.07 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C12 | BB | 46.14 | 1 |
| C17 | B | 55.35 | 1 |
| C2 | A3OMe | 56.26 | 1 |
| C1 | B3OMe | 56.34 | 1 |
| C9 | BG | 69.98 | 1 |
| C9 | BG | 81.09 | 1 |
| C20 | G | 84.56 | 1 |
| C7 | B2 | 109.50 | 1 |
| C8 | A2 | 110.24 | 1 |
| C6 | A5 | 115.65 | 1 |
| C5 | B5 | 115.87 | 1 |
| C3 | B6 | 118.57 | 1 |
| C4 | A6 | 119.17 | 1 |
| C10 | B1 | 129.22 | 1 |
| C11 | A1 | 133.48 | 1 |
| C14 | A4 | 147.10 | 1 |
| C13 | B4 | 147.24 | 1 |
| C16 | A3 | 148.39 | 1 |
| C15 | B3 | 148.54 | 1 |
| C20 | G | 177.77 | 1 |
| H45 | B | 3.65 | 1 |
| H42 | BB | 3.71 | 1 |
| HX | G | 5.16 | 1 |
| H44 | BA | 5.82 | 1 |
| H40 | BGcis | 3.80 | 1 |
| H41 | BGtrans | 3.47 | 1 |