Lignin_cw_compound_2011 (C28 H32 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 544.54708
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.63 | 1 |
| C4 | AAcMe | 20.68 | 1 |
| C2 | GAcMe | 20.99 | 1 |
| C1 | BGAcMe | 21.02 | 1 |
| C6 | A3OMe | 55.81 | 1 |
| C5 | B3OMe | 55.93 | 1 |
| C16 | G | 63.02 | 1 |
| C13 | BG | 65.08 | 1 |
| C28 | A | 74.40 | 1 |
| C27 | B | 80.19 | 1 |
| C14 | B2 | 110.17 | 1 |
| C15 | A2 | 111.66 | 1 |
| C11 | B5 | 118.31 | 1 |
| C10 | A6 | 119.54 | 1 |
| C9 | B6 | 119.82 | 1 |
| C7 | BB | 122.13 | 1 |
| C10 | A5 | 122.83 | 1 |
| C21 | B1 | 131.54 | 1 |
| C8 | BA | 133.87 | 1 |
| C22 | A1 | 135.18 | 1 |
| C23 | A4 | 139.92 | 1 |
| C24 | B4 | 148.02 | 1 |
| C25 | B3 | 150.71 | 1 |
| C26 | A3 | 151.12 | 1 |
| C19 | A4AcC=O | 168.76 | 1 |
| C20 | AAcC=O | 169.65 | 1 |
| C17 | GAcC=O | 170.54 | 1 |
| C18 | BGAcC=O | 170.84 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.44 | 1 |
| C4 | AAcMe | 20.58 | 1 |
| C2 | GAcMe | 20.78 | 1 |
| C1 | BGAcMe | 20.91 | 1 |
| C6 | A3OMe | 56.24 | 1 |
| C5 | B3OMe | 56.29 | 1 |
| C16 | G | 63.56 | 1 |
| C13 | BG | 65.36 | 1 |
| C28 | A | 75.32 | 1 |
| C27 | B | 80.56 | 1 |
| C14 | B2 | 111.31 | 1 |
| C15 | A2 | 112.64 | 1 |
| C11 | B5 | 118.74 | 1 |
| C10 | A6 | 120.30 | 1 |
| C9 | B6 | 120.54 | 1 |
| C7 | BB | 123.26 | 1 |
| C10 | A5 | 123.56 | 1 |
| C21 | B1 | 132.35 | 1 |
| C8 | BA | 134.16 | 1 |
| C22 | A1 | 136.61 | 1 |
| C23 | A4 | 140.92 | 1 |
| C24 | B4 | 149.09 | 1 |
| C25 | B3 | 151.75 | 1 |
| C26 | A3 | 152.22 | 1 |
| C19 | A4AcC=O | 168.89 | 1 |
| C20 | AAcC=O | 170.00 | 1 |
| C17 | GAcC=O | 170.68 | 1 |
| C18 | BGAcC=O | 170.77 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.38 | 1 |
| C4 | AAcMe | 20.46 | 1 |
| C2 | GAcMe | 20.75 | 1 |
| C1 | BGAcMe | 20.72 | 1 |
| C6 | A3OMe | 55.67 | 1 |
| C5 | B3OMe | 55.84 | 1 |
| C16 | G | 62.49 | 1 |
| C13 | BG | 64.45 | 1 |
| C28 | A | 74.28 | 1 |
| C27 | B | 78.95 | 1 |
| C14 | B2 | 110.22 | 1 |
| C15 | A2 | 111.65 | 1 |
| C11 | B5 | 116.99 | 1 |
| C10 | A6 | 119.46 | 1 |
| C9 | B6 | 119.56 | 1 |
| C7 | BB | 122.35 | 1 |
| C10 | A5 | 122.74 | 1 |
| C21 | B1 | 130.64 | 1 |
| C8 | BA | 132.99 | 1 |
| C22 | A1 | 135.40 | 1 |
| C23 | A4 | 139.23 | 1 |
| C24 | B4 | 147.56 | 1 |
| C25 | B3 | 150.09 | 1 |
| C26 | A3 | 150.73 | 1 |
| C19 | A4AcC=O | 168.48 | 1 |
| C20 | AAcC=O | 169.45 | 1 |
| C17 | GAcC=O | 170.05 | 1 |
| C18 | BGAcC=O | 170.21 | 1 |