Lignin_cw_compound_218 (C22 H26 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 418.43704
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 |
|---|---|---|---|
| C1 | AcMe | 20.70 | 4 |
| C2 | AcMe | 20.85 | 4 |
| C11 | A | 38.26 | 1 |
| C3 | OMe | 55.97 | 1 |
| C4 | OMe | 55.97 | 1 |
| C5 | OMe | 55.97 | 1 |
| C13 | G | 65.35 | 1 |
| C17 | B | 80.49 | 1 |
| C7 | B2 | 105.20 | 1 |
| C8 | B6 | 105.20 | 1 |
| C12 | A2 | 113.95 | 1 |
| C9 | A6 | 121.64 | 1 |
| C10 | A5 | 122.30 | 1 |
| C6 | B1 | 123.92 | 1 |
| C22 | B4 | 135.89 | 1 |
| C16 | A1 | 137.13 | 1 |
| C18 | A4 | 138.26 | 1 |
| C21 | A3 | 150.69 | 1 |
| C19 | B3 | 153.66 | 1 |
| C20 | B5 | 153.66 | 1 |
| C15 | AcC=O | 169.17 | 1 |
| C14 | GAcC=O | 170.92 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.49 | 4 |
| C2 | AcMe | 20.65 | 4 |
| C11 | A | 38.82 | 1 |
| C3 | OMe | 56.12 | 4 |
| C4 | OMe | 56.30 | 4 |
| C5 | OMe | 56.30 | 4 |
| C13 | G | 65.72 | 1 |
| C17 | B | 80.86 | 1 |
| C7 | B2 | 106.29 | 1 |
| C8 | B6 | 106.29 | 1 |
| C12 | A2 | 114.77 | 1 |
| C9 | A6 | 122.34 | 1 |
| C10 | A5 | 123.12 | 1 |
| C6 | B1 | 124.53 | 1 |
| C22 | B4 | 137.12 | 1 |
| C16 | A1 | 137.89 | 1 |
| C18 | A4 | 139.37 | 1 |
| C21 | A3 | 151.85 | 1 |
| C19 | B3 | 154.65 | 1 |
| C20 | B5 | 154.65 | 1 |
| C15 | AcC=O | 169.08 | 1 |
| C14 | GAcC=O | 169.08 | 1 |
| H51 | A | 3.06 | 1 |
| H52 | A | 3.06 | 1 |
| H37 | BOMe | 3.76 | 1 |
| H39 | BOMe | 3.76 | 1 |
| H38 | BOMe | 3.76 | 1 |
| H41 | BOMe | 3.76 | 1 |
| H40 | BOMe | 3.76 | 1 |
| H42 | BOMe | 3.76 | 1 |
| H45 | OMe | 3.79 | 1 |
| H44 | OMe | 3.79 | 1 |
| H43 | OMe | 3.79 | 1 |
| H54 | G | 4.11 | 1 |
| H55 | G | 4.11 | 1 |
| H56 | B | 4.51 | 1 |
| H47 | B2 | 6.64 | 1 |
| H48 | B6 | 6.64 | 1 |
| H49 | A6 | 6.86 | 1 |
| H50 | A5 | 6.95 | 1 |
| H46 | B1 | 6.98 | 1 |
| H53 | A2 | 7.07 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.37 | 4 |
| C2 | AcMe | 20.46 | 4 |
| C11 | A | 37.51 | 1 |
| C3 | OMe | 55.60 | 4 |
| C4 | OMe | 55.74 | 4 |
| C5 | OMe | 55.74 | 4 |
| C13 | G | 64.78 | 1 |
| C17 | B | 79.44 | 1 |
| C7 | B2 | 105.39 | 1 |
| C8 | B6 | 105.39 | 1 |
| C12 | A2 | 113.76 | 1 |
| C9 | A6 | 121.30 | 1 |
| C10 | A5 | 122.27 | 1 |
| C6 | B1 | 123.74 | 1 |
| C22 | B4 | 137.28 | 1 |
| C16 | A1 | 136.71 | 1 |
| C18 | A4 | 137.69 | 1 |
| C21 | A3 | 150.35 | 1 |
| C19 | B3 | 153.16 | 1 |
| C20 | B5 | 153.16 | 1 |
| C15 | AcC=O | 168.60 | 1 |
| C14 | GAcC=O | 170.16 | 1 |