Lignin_cw_compound_2008 (C20 H18 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 386.35212
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 |
|---|---|---|---|
| C41 | B | 48.39 | 1 |
| C42 | B | 48.39 | 1 |
| C1 | OMe | 56.13 | 1 |
| C2 | OMe | 56.13 | 1 |
| C17 | A | 81.90 | 1 |
| C18 | A | 81.90 | 1 |
| C7 | 2 | 107.52 | 1 |
| C8 | 2 | 107.52 | 1 |
| C5 | 5 | 114.98 | 1 |
| C6 | 5 | 114.98 | 1 |
| C3 | 6 | 117.41 | 1 |
| C4 | 6 | 117.41 | 1 |
| C9 | 1 | 129.81 | 1 |
| C10 | 1 | 129.81 | 1 |
| C11 | 4 | 146.35 | 1 |
| C12 | 4 | 146.35 | 1 |
| C13 | 3 | 147.06 | 1 |
| C14 | 3 | 147.06 | 1 |
| C19 | G | 174.94 | 1 |
| C20 | G | 174.94 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C41 | B | 49.11 | 1 |
| C42 | B | 49.11 | 1 |
| C1 | OMe | 56.39 | 1 |
| C2 | OMe | 56.39 | 1 |
| C17 | A | 83.22 | 1 |
| C18 | A | 83.22 | 1 |
| C7 | 2 | 110.40 | 1 |
| C8 | 2 | 110.40 | 1 |
| C5 | 5 | 116.00 | 1 |
| C6 | 5 | 116.00 | 1 |
| C3 | 6 | 119.57 | 1 |
| C4 | 6 | 119.57 | 1 |
| C9 | 1 | 130.82 | 1 |
| C10 | 1 | 130.82 | 1 |
| C11 | 4 | 148.17 | 1 |
| C12 | 4 | 148.17 | 1 |
| C13 | 3 | 148.72 | 1 |
| C14 | 3 | 148.72 | 1 |
| C19 | G | 175.99 | 1 |
| C20 | G | 175.99 | 1 |
| H29 | OMe | 3.85 | 1 |
| H30 | OMe | 3.85 | 1 |
| H31 | OMe | 3.85 | 1 |
| H32 | OMe | 3.85 | 1 |
| H33 | OMe | 3.85 | 1 |
| H34 | OMe | 3.85 | 1 |
| H41 | B | 4.09 | 1 |
| H42 | B | 4.09 | 1 |
| H43 | A | 5.77 | 1 |
| H44 | A | 5.77 | 1 |
| H37 | 5 | 6.86 | 1 |
| H38 | 5 | 6.86 | 1 |
| H35 | 6 | 6.92 | 1 |
| H36 | 6 | 6.92 | 1 |
| H39 | 2 | 7.05 | 1 |
| H40 | 2 | 7.05 | 1 |
| H45 | 4OH | 7.90 | 1 |
| H46 | 4OH | 7.90 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C41 | B | 48.11 | 1 |
| C42 | B | 48.11 | 1 |
| C1 | OMe | 55.81 | 1 |
| C2 | OMe | 55.81 | 1 |
| C17 | A | 82.06 | 1 |
| C18 | A | 82.06 | 1 |
| C7 | 2 | 110.64 | 1 |
| C8 | 2 | 110.64 | 1 |
| C5 | 5 | 115.46 | 1 |
| C6 | 5 | 115.46 | 1 |
| C3 | 6 | 119.22 | 1 |
| C4 | 6 | 119.22 | 1 |
| C9 | 1 | 129.00 | 1 |
| C10 | 1 | 129.00 | 1 |
| C11 | 4 | 147.36 | 1 |
| C12 | 4 | 147.36 | 1 |
| C13 | 3 | 147.88 | 1 |
| C14 | 3 | 147.88 | 1 |
| C19 | G | 175.40 | 1 |
| C20 | G | 175.40 | 1 |