Lignin_cw_compound_217 (C18 H22 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 334.36368
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Tracey Duch)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C9 | A | 37.30 | 1 |
| C1 | OMe | 55.90 | 4 |
| C2 | OMe | 56.09 | 4 |
| C3 | OMe | 56.09 | 4 |
| C11 | G | 62.21 | 1 |
| C13 | B | 84.48 | 1 |
| C5 | B2 | 105.42 | 1 |
| C6 | B6 | 105.42 | 1 |
| C10 | A2 | 112.31 | 1 |
| C8 | A5 | 114.28 | 1 |
| C7 | A6 | 122.09 | 1 |
| C4 | B1 | 123.95 | 1 |
| C12 | A1 | 130.13 | 1 |
| C18 | B4 | 135.66 | 1 |
| C14 | A4 | 144.12 | 1 |
| C17 | A3 | 146.44 | 1 |
| C15 | B3 | 153.60 | 1 |
| C16 | B5 | 153.60 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C9 | A | 37.97 | 1 |
| C1 | OMe | 56.19 | 4 |
| C2 | OMe | 56.45 | 4 |
| C3 | OMe | 56.45 | 4 |
| C11 | G | 62.78 | 1 |
| C13 | B | 85.29 | 1 |
| C5 | B2 | 106.49 | 1 |
| C6 | B6 | 106.49 | 1 |
| C10 | A2 | 113.89 | 1 |
| C8 | A5 | 115.52 | 1 |
| C7 | A6 | 122.81 | 1 |
| C4 | B1 | 124.51 | 1 |
| C12 | A1 | 130.76 | 1 |
| C18 | B4 | 137.09 | 1 |
| C14 | A4 | 145.71 | 1 |
| C17 | A3 | 148.05 | 1 |
| C15 | B3 | 154.61 | 1 |
| C16 | B5 | 154.61 | 1 |
| H39 | A | 3.03 | 1 |
| H40 | A | 3.03 | 1 |
| H42 | G | 3.50 | 1 |
| H43 | G | 3.50 | 1 |
| H31 | AOMe | 3.82 | 1 |
| H32 | AOMe | 3.82 | 1 |
| H33 | AOMe | 3.82 | 1 |
| H25 | BOMe | 3.83 | 1 |
| H27 | BOMe | 3.83 | 1 |
| H26 | BOMe | 3.83 | 1 |
| H29 | BOMe | 3.83 | 1 |
| H28 | BOMe | 3.83 | 1 |
| H30 | BOMe | 3.83 | 1 |
| H44 | B | 4.17 | 1 |
| H35 | B2 | 6.69 | 1 |
| H36 | B6 | 6.69 | 1 |
| H38 | A5 | 6.74 | 1 |
| H37 | A6 | 6.74 | 1 |
| H41 | A2 | 6.90 | 1 |
| H34 | B1 | 7.01 | 1 |
| H46 | ArOH | 7.39 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C9 | A | 36.86 | 1 |
| C1 | OMe | 55.52 | 4 |
| C2 | OMe | 55.86 | 4 |
| C3 | OMe | 55.86 | 4 |
| C11 | G | 61.69 | 1 |
| C13 | B | 83.46 | 1 |
| C5 | B2 | 105.65 | 1 |
| C6 | B6 | 105.65 | 1 |
| C10 | A2 | 113.58 | 1 |
| C8 | A5 | 115.11 | 1 |
| C7 | A6 | 121.68 | 1 |
| C4 | B1 | 123.41 | 1 |
| C12 | A1 | 129.32 | 1 |
| C18 | B4 | 135.65 | 1 |
| C14 | A4 | 144.64 | 1 |
| C17 | A3 | 147.15 | 1 |
| C15 | B3 | 153.29 | 1 |
| C16 | B5 | 153.29 | 1 |