Lignin_cw_compound_247 (C20 H22 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 358.38508
This is of the category: 5-5 Dimers
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | AcMe | 20.54 | 1 |
| C4 | AcMe | 20.54 | 1 |
| C1 | A | 21.51 | 1 |
| C2 | A | 21.51 | 1 |
| C5 | OMe | 56.08 | 1 |
| C6 | OMe | 56.08 | 1 |
| C9 | 2 | 112.75 | 1 |
| C10 | 2 | 112.75 | 1 |
| C7 | 6 | 123.17 | 1 |
| C8 | 6 | 123.17 | 1 |
| C15 | 5 | 131.30 | 1 |
| C16 | 5 | 131.30 | 1 |
| C19 | 4 | 135.39 | 1 |
| C20 | 4 | 135.39 | 1 |
| C11 | 1 | 136.02 | 1 |
| C12 | 1 | 136.02 | 1 |
| C17 | 3 | 150.95 | 1 |
| C18 | 3 | 150.95 | 1 |
| C13 | AcC=O | 168.96 | 1 |
| C14 | AcC=O | 168.96 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | AcMe | 20.36 | 1 |
| C4 | AcMe | 20.36 | 1 |
| C1 | A | 21.32 | 1 |
| C2 | A | 21.32 | 1 |
| C5 | OMe | 56.28 | 1 |
| C6 | OMe | 56.28 | 1 |
| C9 | 2 | 113.52 | 1 |
| C10 | 2 | 113.52 | 1 |
| C7 | 6 | 123.44 | 1 |
| C8 | 6 | 123.44 | 1 |
| C15 | 5 | 132.13 | 1 |
| C16 | 5 | 132.13 | 1 |
| C19 | 4 | 136.48 | 1 |
| C20 | 4 | 136.48 | 1 |
| C11 | 1 | 136.48 | 1 |
| C12 | 1 | 136.48 | 1 |
| C17 | 3 | 152.17 | 1 |
| C18 | 3 | 152.17 | 1 |
| C13 | AcC=O | 168.67 | 1 |
| C14 | AcC=O | 168.67 | 1 |
| H35 | AcMe | 2.00 | 1 |
| H34 | AcMe | 2.00 | 1 |
| H33 | AcMe | 2.00 | 1 |
| H36 | AcMe | 2.00 | 1 |
| H37 | AcMe | 2.00 | 1 |
| H38 | AcMe | 2.00 | 1 |
| H28 | A | 2.33 | 1 |
| H29 | A | 2.33 | 1 |
| H27 | A | 2.33 | 1 |
| H31 | A | 2.33 | 1 |
| H30 | A | 2.33 | 1 |
| H32 | A | 2.33 | 1 |
| H39 | OMe | 3.81 | 1 |
| H40 | OMe | 3.81 | 1 |
| H41 | OMe | 3.81 | 1 |
| H44 | OMe | 3.81 | 1 |
| H43 | OMe | 3.81 | 1 |
| H42 | OMe | 3.81 | 1 |
| H45 | 6 | 6.60 | 1 |
| H46 | 6 | 6.60 | 1 |
| H47 | 2 | 6.92 | 1 |
| H48 | 2 | 6.92 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | AcMe | 20.10 | 1 |
| C4 | AcMe | 20.10 | 1 |
| C1 | A | 20.87 | 1 |
| C2 | A | 20.87 | 1 |
| C5 | OMe | 55.83 | 1 |
| C6 | OMe | 55.83 | 1 |
| C9 | 2 | 112.90 | 1 |
| C10 | 2 | 112.90 | 1 |
| C7 | 6 | 122.22 | 1 |
| C8 | 6 | 122.22 | 1 |
| C15 | 5 | 130.49 | 1 |
| C16 | 5 | 130.49 | 1 |
| C19 | 4 | 134.74 | 1 |
| C20 | 4 | 134.74 | 1 |
| C11 | 1 | 135.52 | 1 |
| C12 | 1 | 135.52 | 1 |
| C17 | 3 | 150.64 | 1 |
| C18 | 3 | 150.64 | 1 |
| C13 | AcC=O | 168.00 | 1 |
| C14 | AcC=O | 168.00 | 1 |