Lignin_cw_compound_3018 (C28 H32 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 528.54768
This is of the category: b-b Dimers
Concentration: Saturated (Source: Liming Zhang)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.56 | 4 |
| C2 | AcMe | 20.65 | 4 |
| C3 | AcMe | 20.77 | 4 |
| C4 | AcMe | 20.82 | 4 |
| C9 | A | 33.02 | 1 |
| C21 | B | 35.13 | 1 |
| C23 | BB | 43.44 | 1 |
| C28 | BA | 47.22 | 1 |
| C5 | OMe | 55.83 | 4 |
| C6 | OMe | 55.91 | 4 |
| C14 | BG | 63.04 | 1 |
| C13 | G | 66.20 | 1 |
| C11 | A2 | 111.81 | 1 |
| C10 | B2 | 113.17 | 1 |
| C7 | B6 | 121.52 | 1 |
| C8 | B5 | 122.81 | 1 |
| C12 | A5 | 123.71 | 1 |
| C22 | A6 | 131.13 | 1 |
| C20 | A1 | 134.05 | 1 |
| C27 | A4 | 138.03 | 1 |
| C24 | B4 | 138.03 | 1 |
| C19 | B1 | 142.77 | 1 |
| C26 | A3 | 149.35 | 1 |
| C25 | B3 | 151.16 | 1 |
| C15 | AcC=O | 168.91 | 4 |
| C16 | AcC=O | 169.11 | 4 |
| C17 | AcC=O | 170.80 | 4 |
| C18 | AcC=O | 170.97 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.36 | 4 |
| C2 | AcMe | 20.47 | 4 |
| C3 | AcMe | 20.69 | 4 |
| C4 | AcMe | 20.72 | 4 |
| C9 | A | 33.53 | 1 |
| C21 | B | 36.29 | 1 |
| C23 | BB | 44.25 | 1 |
| C28 | BA | 47.98 | 1 |
| C5 | OMe | 56.17 | 4 |
| C6 | OMe | 56.19 | 4 |
| C14 | BG | 63.57 | 1 |
| C13 | G | 66.74 | 1 |
| C11 | A2 | 112.90 | 1 |
| C10 | B2 | 114.53 | 1 |
| C7 | B6 | 121.11 | 1 |
| C8 | B5 | 123.64 | 1 |
| C12 | A5 | 124.16 | 1 |
| C22 | A6 | 132.26 | 1 |
| C20 | A1 | 135.25 | 1 |
| C27 | A4 | 139.17 | 1 |
| C24 | B4 | 139.63 | 1 |
| C19 | B1 | 144.24 | 1 |
| C26 | A3 | 150.46 | 1 |
| C25 | B3 | 152.28 | 1 |
| C15 | AcC=O | 168.93 | 4 |
| C16 | AcC=O | 168.96 | 4 |
| C17 | AcC=O | 171.06 | 4 |
| C18 | AcC=O | 171.06 | 4 |
| H39 | AcMe | 2.01 | 4 |
| H41 | AcMe | 2.01 | 4 |
| H40 | AcMe | 2.01 | 4 |
| H42 | AcMe | 2.02 | 4 |
| H44 | AcMe | 2.02 | 4 |
| H43 | AcMe | 2.02 | 4 |
| H47 | AcMe | 2.11 | 4 |
| H46 | AcMe | 2.11 | 4 |
| H45 | AcMe | 2.11 | 4 |
| H48 | AcMe | 2.22 | 4 |
| H49 | AcMe | 2.22 | 4 |
| H50 | AcMe | 2.22 | 4 |
| H69 | BB | 2.16 | 1 |
| H68 | B | 2.29 | 1 |
| H59 | A | 2.92 | 1 |
| H60 | A | 2.92 | 1 |
| H55 | OMe | 3.74 | 4 |
| H54 | OMe | 3.74 | 4 |
| H56 | OMe | 3.74 | 4 |
| H57 | OMe | 3.78 | 4 |
| H58 | OMe | 3.78 | 4 |
| H59 | OMe | 3.78 | 4 |
| H66 | BG1 | 3.92 | 1 |
| H70 | BA | 4.02 | 1 |
| H67 | BG2 | 4.09 | 1 |
| H64 | AG1 | 4.11 | 1 |
| H65 | AG2 | 4.23 | 1 |
| H63 | A5 | 6.34 | 1 |
| H57 | B6 | 6.74 | 1 |
| H62 | A2 | 6.87 | 1 |
| H61 | B2 | 6.92 | 1 |
| H58 | B5 | 6.99 | 1 |