Lignin_cw_compound_33 (C26 H32 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 504.52628
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 |
|---|---|---|---|
| C2 | AcMe | 20.71 | 4 |
| C3 | AcMe | 21.05 | 4 |
| C4 | AcMe | 21.35 | 4 |
| C1 | BB | 22.09 | 1 |
| C5 | OMe | 55.91 | 4 |
| C6 | OMe | 55.95 | 4 |
| C7 | OMe | 55.95 | 4 |
| C14 | G | 63.26 | 1 |
| C15 | BA | 72.06 | 1 |
| C26 | A | 74.87 | 1 |
| C25 | B | 80.44 | 1 |
| C12 | B2 | 110.58 | 1 |
| C13 | A2 | 110.75 | 1 |
| C10 | A5 | 111.12 | 1 |
| C11 | B5 | 118.23 | 1 |
| C8 | B6 | 118.66 | 1 |
| C9 | A6 | 119.88 | 1 |
| C20 | A1 | 128.93 | 1 |
| C19 | B1 | 136.59 | 1 |
| C22 | B4 | 147.72 | 1 |
| C23 | A3 | 149.04 | 1 |
| C21 | A4 | 149.30 | 1 |
| C24 | B3 | 150.65 | 1 |
| C16 | AcC=O | 170.54 | 4 |
| C17 | AcC=O | 170.23 | 4 |
| C18 | AcC=O | 169.76 | 4 |
| H42 | AcMe | 2.00 | 4 |
| H40 | AcMe | 2.00 | 4 |
| H41 | AcMe | 2.00 | 4 |
| H44 | AcMe | 2.02 | 4 |
| H45 | AcMe | 2.02 | 4 |
| H43 | AcMe | 2.02 | 4 |
| H48 | AcMe | 2.06 | 4 |
| H47 | AcMe | 2.06 | 4 |
| H46 | AcMe | 2.06 | 4 |
| H38 | BB | 1.52 | 1 |
| H39 | BB | 1.52 | 1 |
| H37 | BB | 1.52 | 1 |
| H54 | OMe | 3.85 | 4 |
| H53 | OMe | 3.85 | 4 |
| H52 | OMe | 3.85 | 4 |
| H56 | OMe | 3.86 | 4 |
| H55 | OMe | 3.86 | 4 |
| H57 | OMe | 3.86 | 4 |
| H58 | OMe | 3.87 | 4 |
| H59 | OMe | 3.87 | 4 |
| H60 | OMe | 3.87 | 4 |
| H64 | G2 | 4.27 | 1 |
| H65 | G1 | 3.99 | 1 |
| H66 | BA | 4.82 | 1 |
| H67 | A | 6.07 | 1 |
| H68 | B | 4.63 | 1 |
| C14 | G | 62.74 | 1 |
| C26 | A | 74.08 | 1 |
| C25 | B | 79.98 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.59 | 4 |
| C3 | AcMe | 20.95 | 4 |
| C4 | AcMe | 21.14 | 4 |
| C1 | BB | 22.45 | 1 |
| C5 | OMe | 56.06 | 4 |
| C6 | OMe | 56.14 | 4 |
| C7 | OMe | 56.32 | 4 |
| C14 | G | 63.80 | 1 |
| C15 | BA | 72.39 | 1 |
| C26 | A | 75.67 | 1 |
| C25 | B | 80.88 | 1 |
| C12 | B2 | 111.79 | 1 |
| C13 | A2 | 112.17 | 1 |
| C10 | A5 | 112.49 | 1 |
| C11 | B5 | 118.74 | 1 |
| C8 | B6 | 119.19 | 1 |
| C9 | A6 | 120.73 | 1 |
| C20 | A1 | 130.22 | 1 |
| C19 | B1 | 137.61 | 1 |
| C22 | B4 | 148.68 | 1 |
| C23 | A3 | 150.28 | 1 |
| C21 | A4 | 150.51 | 1 |
| C24 | B3 | 151.56 | 1 |
| C16 | AcC=O | 169.88 | 4 |
| C17 | AcC=O | 170.14 | 4 |
| C18 | AcC=O | 170.59 | 4 |
| C14 | G | 63.25 | 1 |
| C26 | A | 74.76 | 1 |
| C25 | B | 80.23 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.36 | 4 |
| C3 | AcMe | 20.64 | 4 |
| C4 | AcMe | 20.94 | 4 |
| C1 | BB | 21.87 | 1 |
| C5 | OMe | 55.41 | 4 |
| C6 | OMe | 55.46 | 4 |
| C7 | OMe | 55.66 | 4 |
| C14 | G | 62.61 | 1 |
| C15 | BA | 71.36 | 1 |
| C26 | A | 74.54 | 1 |
| C25 | B | 79.23 | 1 |
| C12 | B2 | 110.64 | 1 |
| C13 | A2 | 110.84 | 1 |
| C10 | A5 | 111.48 | 1 |
| C11 | B5 | 117.02 | 1 |
| C8 | B6 | 118.08 | 1 |
| C9 | A6 | 119.74 | 1 |
| C20 | A1 | 128.75 | 1 |
| C19 | B1 | 135.92 | 1 |
| C22 | B4 | 147.12 | 1 |
| C23 | A3 | 148.57 | 1 |
| C21 | A4 | 148.83 | 1 |
| C24 | B3 | 149.86 | 1 |
| C16 | AcC=O | 169.22 | 4 |
| C17 | AcC=O | 169.52 | 4 |
| C18 | AcC=O | 169.91 | 4 |
| C14 | G | 62.04 | 1 |
| C26 | A | 73.25 | 1 |
| C25 | B | 78.29 | 1 |