Lignin_cw_compound_2029 (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 | 49.99 | 1 |
| C17 | B | 53.31 | 1 |
| C2 | A3OMe | 56.02 | 1 |
| C1 | B3OMe | 56.08 | 1 |
| C9 | BG | 72.70 | 1 |
| C19 | A | 83.38 | 1 |
| C18 | BA | 84.59 | 1 |
| C8 | A2 | 107.77 | 1 |
| C7 | B2 | 108.11 | 1 |
| C6 | A5 | 114.42 | 1 |
| C5 | B5 | 114.71 | 1 |
| C4 | A6 | 118.02 | 1 |
| C3 | B6 | 118.40 | 1 |
| C10 | B1 | 131.11 | 1 |
| C11 | A1 | 132.31 | 1 |
| C14 | A4 | 145.34 | 1 |
| C13 | B4 | 146.07 | 1 |
| C16 | A3 | 146.73 | 1 |
| C15 | B3 | 146.94 | 1 |
| C20 | G | 176.92 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C12 | BB | 50.38 | 1 |
| C17 | B | 53.71 | 1 |
| C2 | A3OMe | 50.26 | 1 |
| C1 | B3OMe | 50.34 | 1 |
| C9 | BG | 73.44 | 1 |
| C19 | A | 84.43 | 1 |
| C18 | BA | 85.78 | 1 |
| C8 | A2 | 110.35 | 1 |
| C7 | B2 | 110.45 | 1 |
| C6 | A5 | 115.64 | 1 |
| C5 | B5 | 115.87 | 1 |
| C4 | A6 | 119.30 | 1 |
| C3 | B6 | 119.66 | 1 |
| C10 | B1 | 132.47 | 1 |
| C11 | A1 | 133.17 | 1 |
| C14 | A4 | 147.12 | 1 |
| C13 | B4 | 147.80 | 1 |
| C16 | A3 | 148.35 | 1 |
| C15 | B3 | 148.63 | 1 |
| C20 | G | 177.72 | 1 |
| H43 | B | 3.65 | 1 |
| H42 | BB | 3.39 | 1 |
| H45 | A | 5.20 | 1 |
| H44 | BA | 5.39 | 1 |
| H40 | BGcis | 4.30 | 2 |
| H41 | BGtrans | 4.02 | 2 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C12 | BB | 48.62 | 1 |
| C17 | B | 52.32 | 1 |
| C2 | A3OMe | 55.61 | 1 |
| C1 | B3OMe | 55.71 | 1 |
| C9 | BG | 72.15 | 1 |
| C19 | A | 82.91 | 1 |
| C18 | BA | 84.83 | 1 |
| C8 | A2 | 110.30 | 1 |
| C7 | B2 | 110.54 | 1 |
| C6 | A5 | 115.16 | 1 |
| C5 | B5 | 115.34 | 1 |
| C4 | A6 | 118.50 | 1 |
| C3 | B6 | 118.88 | 1 |
| C10 | B1 | 130.58 | 1 |
| C11 | A1 | 131.08 | 1 |
| C14 | A4 | 146.19 | 1 |
| C13 | B4 | 146.85 | 1 |
| C16 | A3 | 147.55 | 1 |
| C15 | B3 | 147.73 | 1 |
| C20 | G | 177.14 | 1 |