Lignin_cw_compound_276 (C21 H22 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 402.39458
This is of the category: 5-5 Dimers
Concentration: Saturated (Source: Forest Products Laboratory)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.06 | 1 |
| C3 | A4AcMe | 20.56 | 1 |
| C2 | AAAcMe | 21.28 | 1 |
| C6 | B | 29.33 | 1 |
| C5 | AOMe | 56.26 | 1 |
| C4 | BOMe | 56.53 | 1 |
| C17 | A | 77.29 | 1 |
| C18 | B2 | 107.40 | 1 |
| C8 | A2 | 112.23 | 1 |
| C7 | A6 | 120.36 | 1 |
| C16 | A5 | 126.86 | 1 |
| C9 | B6 | 135.67 | 1 |
| C21 | A4 | 137.30 | 1 |
| C13 | A1 | 139.15 | 1 |
| C15 | B5 | 141.95 | 1 |
| C19 | A3 | 151.44 | 1 |
| C18 | B3 | 158.88 | 1 |
| C12 | A4AcC=O | 168.19 | 1 |
| C11 | AAAcC=O | 170.44 | 1 |
| C20 | B4 | 179.90 | 1 |
| C14 | B1 | 186.98 | 1 |
| H31 | G | 0.93 | 1 |
| H30 | G | 0.93 | 1 |
| H32 | G | 0.93 | 1 |
| H45 | B | 1.86 | 1 |
| H46 | B | 1.86 | 1 |
| H34 | AAAcMe | 2.10 | 1 |
| H33 | AAAcMe | 2.10 | 1 |
| H35 | AAAcMe | 2.10 | 1 |
| H44 | A4AcMe | 2.18 | 1 |
| H43 | A4AcMe | 2.18 | 1 |
| H42 | A4AcMe | 2.18 | 1 |
| H44 | AOMe | 3.86 | 1 |
| H43 | AOMe | 3.86 | 1 |
| H42 | AOMe | 3.86 | 1 |
| H51 | A | 5.66 | 1 |
| H50 | B2 | 5.99 | 1 |
| H49 | B6 | 6.70 | 1 |
| H47 | A6 | 6.81 | 1 |
| H48 | A2 | 7.00 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.22 | 1 |
| C3 | A4AcMe | 20.31 | 1 |
| C2 | AAAcMe | 21.02 | 1 |
| C6 | B | 30.13 | 1 |
| C5 | AOMe | 56.55 | 1 |
| C4 | BOMe | 56.91 | 1 |
| C17 | A | 77.01 | 1 |
| C18 | B2 | 108.00 | 1 |
| C8 | A2 | 112.42 | 1 |
| C7 | A6 | 120.65 | 1 |
| C16 | A5 | 128.45 | 1 |
| C9 | B6 | 135.94 | 1 |
| C21 | A4 | 138.05 | 1 |
| C13 | A1 | 140.40 | 1 |
| C15 | B5 | 142.79 | 1 |
| C19 | A3 | 152.38 | 1 |
| C18 | B3 | 159.98 | 1 |
| C12 | A4AcC=O | 168.42 | 1 |
| C11 | AAAcC=O | 170.38 | 1 |
| C20 | B4 | 180.40 | 1 |
| C14 | B1 | 187.46 | 1 |
| H31 | G | 0.91 | 1 |
| H30 | G | 0.91 | 1 |
| H32 | G | 0.91 | 1 |
| H45 | B | 1.88 | 1 |
| H46 | B | 1.88 | 1 |
| H34 | AAAcMe | 2.06 | 1 |
| H33 | AAAcMe | 2.06 | 1 |
| H35 | AAAcMe | 2.06 | 1 |
| H44 | A4AcMe | 2.11 | 1 |
| H43 | A4AcMe | 2.11 | 1 |
| H42 | A4AcMe | 2.11 | 1 |
| H44 | AOMe | 3.87 | 1 |
| H43 | AOMe | 3.87 | 1 |
| H42 | AOMe | 3.87 | 1 |
| H31 | BOMe | 3.89 | 1 |
| H30 | BOMe | 3.89 | 1 |
| H32 | BOMe | 3.89 | 1 |
| H51 | A | 5.68 | 1 |
| H50 | B2 | 6.10 | 1 |
| H49 | B6 | 6.59 | 1 |
| H47 | A6 | 6.94 | 1 |
| H48 | A2 | 7.19 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 9.84 | 1 |
| C3 | A4AcMe | 20.13 | 1 |
| C2 | AAAcMe | 20.88 | 1 |
| C6 | B | 28.85 | 1 |
| C5 | AOMe | 56.15 | 1 |
| C4 | BOMe | 56.60 | 1 |
| C17 | A | 75.82 | 1 |
| C18 | B2 | 107.33 | 1 |
| C8 | A2 | 111.63 | 1 |
| C7 | A6 | 119.58 | 1 |
| C16 | A5 | 127.00 | 1 |
| C9 | B6 | 134.85 | 1 |
| C21 | A4 | 136.35 | 1 |
| C13 | A1 | 139.08 | 1 |
| C15 | B5 | 141.15 | 1 |
| C19 | A3 | 150.83 | 1 |
| C18 | B3 | 158.74 | 1 |
| C12 | A4AcC=O | 167.88 | 1 |
| C11 | AAAcC=O | 169.95 | 1 |
| C20 | B4 | 179.51 | 1 |
| C14 | B1 | 186.80 | 1 |