Lignin_cw_compound_287 (C20 H26 O4)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 330.41804
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain, a-C=O
Concentration: Saturated (Source: Forest Products Laboratory)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 13.49 | 4 |
| C2 | G | 13.63 | 4 |
| C5 | B | 24.44 | 4 |
| C6 | B | 24.47 | 4 |
| C7 | A | 37.67 | 1 |
| C8 | A | 37.67 | 1 |
| C3 | OMe | 55.81 | 4 |
| C4 | OMe | 56.04 | 4 |
| C12 | A2 | 107.05 | 1 |
| C13 | A6 | 111.46 | 1 |
| C11 | B2 | 112.75 | 1 |
| C10 | B5 | 119.17 | 1 |
| C9 | B6 | 120.53 | 1 |
| C15 | A1 | 133.56 | 1 |
| C20 | A4 | 134.79 | 1 |
| C14 | B1 | 138.87 | 1 |
| C16 | B4 | 143.84 | 1 |
| C19 | A5 | 144.28 | 1 |
| C18 | A3 | 147.59 | 1 |
| C17 | B3 | 150.10 | 1 |
| H25 | G | 0.80 | 4 |
| H26 | G | 0.80 | 4 |
| H27 | G | 0.80 | 4 |
| H28 | G | 0.86 | 4 |
| H29 | G | 0.86 | 4 |
| H30 | G | 0.86 | 4 |
| H39 | AB | 1.47 | 1 |
| H40 | AB | 1.47 | 1 |
| H37 | BB | 1.56 | 1 |
| H38 | BB | 1.56 | 1 |
| H43 | AA | 2.35 | 1 |
| H44 | AA | 2.35 | 1 |
| H41 | BA | 2.47 | 1 |
| H42 | BA | 2.47 | 1 |
| H32 | BOMe | 3.78 | 1 |
| H31 | BOMe | 3.78 | 1 |
| H33 | BOMe | 3.78 | 1 |
| H36 | AOMe | 3.80 | 1 |
| H34 | AOMe | 3.80 | 1 |
| H35 | AOMe | 3.80 | 1 |
| H50 | 4OH | 5.94 | 1 |
| H49 | A6 | 6.30 | 1 |
| H48 | A2 | 6.41 | 1 |
| H45 | B6 | 6.60 | 1 |
| H46 | B5 | 6.71 | 1 |
| H47 | B2 | 6.78 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 13.91 | 4 |
| C2 | G | 14.04 | 4 |
| C5 | B | 25.42 | 1 |
| C6 | B | 25.42 | 1 |
| C7 | A | 38.34 | 1 |
| C8 | A | 38.34 | 1 |
| C3 | OMe | 56.28 | 4 |
| C4 | OMe | 56.57 | 4 |
| C12 | A2 | 108.23 | 1 |
| C13 | A6 | 112.07 | 1 |
| C11 | B2 | 114.27 | 1 |
| C10 | B5 | 119.60 | 1 |
| C9 | B6 | 121.37 | 1 |
| C15 | A1 | 133.80 | 1 |
| C20 | A4 | 136.58 | 1 |
| C14 | B1 | 139.23 | 1 |
| C16 | B4 | 145.27 | 1 |
| C19 | A5 | 145.58 | 1 |
| C18 | A3 | 149.43 | 1 |
| C17 | B3 | 151.43 | 1 |
| H25 | G | 0.85 | 4 |
| H26 | G | 0.85 | 4 |
| H27 | G | 0.85 | 4 |
| H28 | G | 0.98 | 4 |
| H29 | G | 0.98 | 4 |
| H30 | G | 0.98 | 4 |
| H39 | AB | 1.52 | 1 |
| H40 | AB | 1.52 | 1 |
| H37 | BB | 1.62 | 1 |
| H38 | BB | 1.62 | 1 |
| H43 | AA | 2.41 | 1 |
| H44 | AA | 2.41 | 1 |
| H41 | BA | 2.55 | 1 |
| H42 | BA | 2.55 | 1 |
| H32 | BOMe | 3.80 | 1 |
| H31 | BOMe | 3.80 | 1 |
| H33 | BOMe | 3.80 | 1 |
| H36 | AOMe | 3.83 | 1 |
| H34 | AOMe | 3.83 | 1 |
| H35 | AOMe | 3.83 | 1 |
| H49 | A6 | 6.25 | 1 |
| H48 | A2 | 6.58 | 1 |
| H45 | B6 | 6.69 | 1 |
| H46 | B5 | 6.74 | 1 |
| H47 | B2 | 6.92 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 13.48 | 4 |
| C2 | G | 13.67 | 4 |
| C5 | B | 24.17 | 1 |
| C6 | B | 24.17 | 1 |
| C7 | A | 36.96 | 4 |
| C8 | A | 36.98 | 4 |
| C3 | OMe | 55.57 | 4 |
| C4 | OMe | 55.90 | 4 |
| C12 | A2 | 107.39 | 1 |
| C13 | A6 | 110.95 | 1 |
| C11 | B2 | 113.17 | 1 |
| C10 | B5 | 117.84 | 1 |
| C9 | B6 | 120.27 | 1 |
| C15 | A1 | 132.29 | 1 |
| C20 | A4 | 135.22 | 1 |
| C14 | B1 | 137.53 | 1 |
| C16 | B4 | 143.77 | 1 |
| C19 | A5 | 144.34 | 1 |
| C18 | A3 | 148.71 | 1 |
| C17 | B3 | 149.71 | 1 |
| H25 | G | 0.80 | 4 |
| H26 | G | 0.80 | 4 |
| H27 | G | 0.80 | 4 |
| H28 | G | 0.87 | 4 |
| H29 | G | 0.87 | 4 |
| H30 | G | 0.87 | 4 |
| H39 | AB | 1.45 | 1 |
| H40 | AB | 1.45 | 1 |
| H37 | BB | 1.57 | 1 |
| H38 | BB | 1.57 | 1 |
| H43 | AA | 2.34 | 1 |
| H44 | AA | 2.34 | 1 |
| H41 | BA | 2.49 | 1 |
| H42 | BA | 2.49 | 1 |
| H32 | BOMe | 3.74 | 1 |
| H31 | BOMe | 3.74 | 1 |
| H33 | BOMe | 3.74 | 1 |
| H36 | AOMe | 3.76 | 1 |
| H34 | AOMe | 3.76 | 1 |
| H35 | AOMe | 3.76 | 1 |
| H49 | A6 | 6.11 | 1 |
| H48 | A2 | 6.53 | 1 |
| H45 | B6 | 6.57 | 1 |
| H46 | B5 | 6.64 | 1 |
| H47 | B2 | 6.89 | 1 |
| H50 | 4OH | 8.39 | 1 |