Lignin_cw_compound_2026 (C20 H18 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 370.35272
This is of the category: b-b Dimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C15 | BB | 50.40 | 1 |
| C16 | B | 53.87 | 1 |
| C2 | B3OMe | 56.14 | 1 |
| C1 | A3OMe | 55.95 | 1 |
| C17 | A | 82.38 | 1 |
| C19 | BA | 83.33 | 1 |
| C18 | BG | 85.74 | 1 |
| C7 | B2 | 106.87 | 1 |
| C5 | A2 | 108.61 | 1 |
| C37 | B5 | 110.88 | 1 |
| C4 | A5 | 114.39 | 1 |
| C3 | A6 | 118.82 | 1 |
| C8 | A1 | 131.09 | 1 |
| C10 | B1 | 132.06 | 1 |
| C9 | B6 | 133.95 | 1 |
| C11 | A4 | 145.52 | 1 |
| C13 | A3 | 146.60 | 1 |
| C12 | B4 | 148.42 | 1 |
| C14 | B3 | 148.69 | 1 |
| C20 | G | 176.43 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C15 | BB | 51.13 | 1 |
| C16 | B | 54.58 | 1 |
| C2 | B3OMe | 56.38 | 1 |
| C1 | A3OMe | 56.25 | 1 |
| C17 | A | 84.18 | 1 |
| C19 | BA | 84.22 | 1 |
| C18 | BG | 86.62 | 1 |
| C7 | B2 | 108.57 | 1 |
| C5 | A2 | 110.78 | 1 |
| C37 | B5 | 112.10 | 1 |
| C4 | A5 | 115.56 | 1 |
| C3 | A6 | 119.80 | 1 |
| C8 | A1 | 132.41 | 1 |
| C10 | B1 | 133.24 | 1 |
| C9 | B6 | 135.28 | 1 |
| C11 | A4 | 147.28 | 1 |
| C13 | A3 | 148.30 | 1 |
| C12 | B4 | 150.03 | 1 |
| C14 | B3 | 150.43 | 1 |
| C20 | G | 177.32 | 1 |
| H40 | B | 3.36 | 1 |
| H39 | BB | 4.24 | 1 |
| H41 | A | 4.72 | 1 |
| H43 | BA | 5.73 | 1 |
| H42 | BG | 5.60 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C15 | BB | 49.78 | 1 |
| C16 | B | 53.16 | 1 |
| C2 | B3OMe | 55.67 | 1 |
| C1 | A3OMe | 55.58 | 1 |
| C17 | A | 83.14 | 1 |
| C19 | BA | 83.27 | 1 |
| C18 | BG | 85.15 | 1 |
| C7 | B2 | 108.24 | 1 |
| C5 | A2 | 110.60 | 1 |
| C37 | B5 | 111.46 | 1 |
| C4 | A5 | 115.12 | 1 |
| C3 | A6 | 118.98 | 1 |
| C8 | A1 | 130.35 | 1 |
| C10 | B1 | 131.52 | 1 |
| C9 | B6 | 133.78 | 1 |
| C11 | A4 | 146.38 | 1 |
| C13 | A3 | 147.50 | 1 |
| C12 | B4 | 149.01 | 1 |
| C14 | B3 | 149.63 | 1 |
| C20 | G | 176.86 | 1 |