Lignin_cw_compound_21 (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, 3-Carbon Sidechain, a-C=O
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.97 | 4 |
| C2 | OMe | 55.97 | 4 |
| C3 | OMe | 56.49 | 4 |
| C4 | OMe | 56.49 | 4 |
| C10 | G | 63.48 | 1 |
| C16 | B | 87.16 | 1 |
| C6 | B2 | 105.27 | 1 |
| C7 | B6 | 105.27 | 1 |
| C8 | A2 | 106.35 | 1 |
| C9 | A6 | 106.35 | 1 |
| C19 | B1 | 124.34 | 1 |
| C11 | A1 | 126.98 | 1 |
| C5 | B4 | 136.46 | 1 |
| C18 | A4 | 140.05 | 1 |
| C14 | A3 | 146.79 | 1 |
| C15 | A5 | 146.79 | 1 |
| C12 | B3 | 152.73 | 1 |
| C13 | B5 | 152.73 | 1 |
| C17 | A | 194.84 | 1 |
| H34 | OMe | 3.74 | 4 |
| H35 | OMe | 3.74 | 4 |
| H36 | OMe | 3.74 | 4 |
| H37 | OMe | 3.74 | 4 |
| H38 | OMe | 3.74 | 4 |
| H39 | OMe | 3.74 | 4 |
| H28 | OMe | 3.92 | 4 |
| H29 | OMe | 3.92 | 4 |
| H30 | OMe | 3.92 | 4 |
| H31 | OMe | 3.92 | 4 |
| H32 | OMe | 3.92 | 4 |
| H33 | OMe | 3.92 | 4 |
| H16 | B | 5.10 | 1 |
| H43 | A2 | 7.42 | 1 |
| H44 | A6 | 7.42 | 1 |
| H41 | B2 | 6.59 | 1 |
| H42 | B6 | 6.59 | 1 |
| H40 | B1 | 7.03 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.35 | 4 |
| C2 | OMe | 56.35 | 4 |
| C3 | OMe | 56.71 | 4 |
| C4 | OMe | 56.71 | 4 |
| C10 | G | 63.66 | 1 |
| C16 | B | 86.21 | 1 |
| C6 | B2 | 106.32 | 1 |
| C7 | B6 | 106.32 | 1 |
| C8 | A2 | 107.69 | 1 |
| C9 | A6 | 107.69 | 1 |
| C19 | B1 | 124.78 | 1 |
| C11 | A1 | 127.86 | 1 |
| C5 | B4 | 137.37 | 1 |
| C18 | A4 | 141.99 | 1 |
| C14 | A3 | 148.31 | 1 |
| C15 | A5 | 148.31 | 1 |
| C12 | B3 | 153.86 | 1 |
| C13 | B5 | 153.86 | 1 |
| C17 | A | 195.15 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.73 | 4 |
| C2 | OMe | 55.73 | 4 |
| C3 | OMe | 55.97 | 4 |
| C4 | OMe | 55.97 | 4 |
| C10 | G | 61.95 | 1 |
| C16 | B | 82.80 | 1 |
| C6 | B2 | 105.46 | 1 |
| C7 | B6 | 105.46 | 1 |
| C8 | A2 | 106.56 | 1 |
| C9 | A6 | 106.56 | 1 |
| C19 | B1 | 123.51 | 1 |
| C11 | A1 | 126.22 | 1 |
| C5 | B4 | 135.80 | 1 |
| C18 | A4 | 140.92 | 1 |
| C14 | A3 | 147.30 | 1 |
| C15 | A5 | 147.30 | 1 |
| C12 | B3 | 152.43 | 1 |
| C13 | B5 | 152.43 | 1 |
| C17 | A | 194.71 | 1 |