Lignin_cw_compound_3 (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: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.78 | 4 |
| C2 | AcMe | 21.05 | 4 |
| C3 | OMe | 55.78 | 4 |
| C4 | OMe | 55.88 | 4 |
| C5 | OMe | 55.88 | 4 |
| C13 | G | 62.82 | 1 |
| C22 | A | 74.12 | 1 |
| C21 | B | 80.10 | 1 |
| C12 | A2 | 110.86 | 1 |
| C11 | A5 | 110.89 | 1 |
| C8 | B2 | 112.55 | 1 |
| C9 | B5 | 119.18 | 1 |
| C10 | A6 | 120.08 | 1 |
| C7 | B6 | 120.93 | 1 |
| C6 | B1 | 123.41 | 1 |
| C16 | A1 | 128.98 | 1 |
| C19 | B4 | 147.32 | 1 |
| C18 | A4 | 148.84 | 1 |
| C20 | A3 | 149.09 | 1 |
| C17 | B3 | 151.04 | 1 |
| C14 | AcC=O | 169.67 | 4 |
| C15 | AcC=O | 170.75 | 4 |
| H31 | AcMe | 2.03 | 4 |
| H32 | AcMe | 2.03 | 4 |
| H33 | AcMe | 2.03 | 4 |
| H34 | AcMe | 2.07 | 4 |
| H35 | AcMe | 2.07 | 4 |
| H36 | AcMe | 2.07 | 4 |
| H37 | OMe | 3.79 | 4 |
| H38 | OMe | 3.79 | 4 |
| H39 | OMe | 3.79 | 4 |
| H40 | OMe | 3.83 | 4 |
| H41 | OMe | 3.83 | 4 |
| H42 | OMe | 3.83 | 4 |
| H43 | OMe | 3.86 | 4 |
| H44 | OMe | 3.86 | 4 |
| H45 | OMe | 3.86 | 4 |
| H53 | G1 | 4.23 | 1 |
| H54 | G2 | 4.43 | 1 |
| H22 | A | 6.03 | 1 |
| H21 | B | 4.71 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.61 | 4 |
| C2 | AcMe | 20.89 | 4 |
| C3 | OMe | 56.02 | 4 |
| C4 | OMe | 56.08 | 4 |
| C5 | OMe | 56.15 | 4 |
| C13 | G | 63.23 | 1 |
| C22 | A | 74.77 | 1 |
| C21 | B | 80.28 | 1 |
| C12 | A2 | 112.24 | 1 |
| C11 | A5 | 112.24 | 1 |
| C8 | B2 | 113.68 | 1 |
| C9 | B5 | 119.51 | 1 |
| C10 | A6 | 120.79 | 1 |
| C7 | B6 | 121.56 | 1 |
| C6 | B1 | 123.82 | 1 |
| C16 | A1 | 130.15 | 1 |
| C19 | B4 | 148.36 | 1 |
| C18 | A4 | 150.10 | 1 |
| C20 | A3 | 150.29 | 1 |
| C17 | B3 | 151.93 | 1 |
| C14 | AcC=O | 169.85 | 4 |
| C15 | AcC=O | 170.71 | 4 |
| C13 | G | 63.8 | 1 |
| C22 | A | 75.7 | 1 |
| C21 | B | 80.8 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.41 | 4 |
| C2 | AcMe | 20.65 | 4 |
| C3 | OMe | 55.38 | 4 |
| C4 | OMe | 55.38 | 4 |
| C5 | OMe | 55.54 | 4 |
| C13 | G | 62.10 | 1 |
| C22 | A | 73.35 | 1 |
| C21 | B | 78.39 | 1 |
| C12 | A2 | 110.87 | 1 |
| C11 | A5 | 111.27 | 1 |
| C8 | B2 | 112.80 | 1 |
| C9 | B5 | 117.70 | 1 |
| C10 | A6 | 119.63 | 1 |
| C7 | B6 | 120.62 | 1 |
| C6 | B1 | 122.70 | 1 |
| C16 | A1 | 128.71 | 1 |
| C19 | B4 | 146.74 | 1 |
| C18 | A4 | 148.43 | 1 |
| C20 | A3 | 148.65 | 1 |
| C17 | B3 | 150.27 | 1 |
| C14 | AcC=O | 169.18 | 4 |
| C15 | AcC=O | 170.00 | 4 |