Lignin_cw_compound_22 (C18 H20 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 348.3472
This is of the category: b-O-4 Dimers, 2-Carbon Sidechain
Concentration: Saturated (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BOMe | 56.09 | 1 |
| C2 | BOMe | 56.09 | 1 |
| C3 | AOMe | 56.48 | 1 |
| C4 | AOMe | 56.48 | 1 |
| C10 | B | 75.45 | 1 |
| C6 | B2 | 105.33 | 1 |
| C7 | B6 | 105.33 | 1 |
| C8 | A2 | 106.07 | 1 |
| C9 | A6 | 106.07 | 1 |
| C5 | B1 | 124.20 | 1 |
| C11 | A1 | 126.68 | 1 |
| C18 | B4 | 136.48 | 1 |
| C17 | A4 | 139.89 | 1 |
| C15 | A3 | 146.74 | 1 |
| C16 | A5 | 146.74 | 1 |
| C13 | B3 | 153.30 | 1 |
| C14 | B5 | 153.30 | 1 |
| C12 | A | 193.61 | 1 |
| H26 | OMe | 3.82 | 4 |
| H27 | OMe | 3.82 | 4 |
| H28 | OMe | 3.82 | 4 |
| H29 | OMe | 3.82 | 4 |
| H30 | OMe | 3.82 | 4 |
| H31 | OMe | 3.82 | 4 |
| H32 | OMe | 3.94 | 4 |
| H33 | OMe | 3.94 | 4 |
| H34 | OMe | 3.94 | 4 |
| H35 | OMe | 3.94 | 4 |
| H36 | OMe | 3.94 | 4 |
| H37 | OMe | 3.94 | 4 |
| H43 | B | 5.11 | 1 |
| H44 | B | 5.11 | 1 |
| H41 | A2 | 7.43 | 1 |
| H42 | A6 | 7.43 | 1 |
| H39 | B2 | 6.59 | 1 |
| H40 | B6 | 6.59 | 1 |
| H38 | B1 | 7.03 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BOMe | 56.42 | 1 |
| C2 | BOMe | 56.42 | 1 |
| C3 | AOMe | 56.72 | 1 |
| C4 | AOMe | 56.72 | 1 |
| C10 | B | 75.90 | 1 |
| C6 | B2 | 106.47 | 1 |
| C7 | B6 | 106.47 | 1 |
| C8 | A2 | 107.45 | 1 |
| C9 | A6 | 107.45 | 1 |
| C5 | B1 | 124.87 | 1 |
| C11 | A1 | 127.09 | 1 |
| C18 | B4 | 137.55 | 1 |
| C17 | A4 | 142.15 | 1 |
| C15 | A3 | 148.39 | 1 |
| C16 | A5 | 148.39 | 1 |
| C13 | B3 | 154.43 | 1 |
| C14 | B5 | 154.43 | 1 |
| C12 | A | 193.69 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BOMe | 55.82 | 1 |
| C2 | BOMe | 55.82 | 1 |
| C3 | AOMe | 56.03 | 1 |
| C4 | AOMe | 56.03 | 1 |
| C10 | B | 74.39 | 1 |
| C6 | B2 | 105.52 | 1 |
| C7 | B6 | 105.52 | 1 |
| C8 | A2 | 105.97 | 1 |
| C9 | A6 | 105.97 | 1 |
| C5 | B1 | 123.84 | 1 |
| C11 | A1 | 124.92 | 1 |
| C18 | B4 | 135.85 | 1 |
| C17 | A4 | 141.14 | 1 |
| C15 | A3 | 147.50 | 1 |
| C16 | A5 | 147.50 | 1 |
| C13 | B3 | 152.85 | 1 |
| C14 | B5 | 152.85 | 1 |
| C12 | A | 192.75 | 1 |