Lignin_cw_compound_3011 (C26 H28 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 500.49452
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Liming Zhang)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GAcMe | 20.60 | 1 |
| C3 | AAcMe | 20.68 | 1 |
| C2 | A4AcMe | 20.94 | 1 |
| C4 | OMe | 55.87 | 1 |
| C5 | OMe | 55.90 | 1 |
| C15 | G | 62.44 | 1 |
| C26 | A | 73.55 | 1 |
| C25 | B | 79.56 | 1 |
| C13 | B2 | 111.38 | 1 |
| C14 | A2 | 112.00 | 1 |
| C10 | B5 | 117.93 | 1 |
| C9 | A6 | 119.76 | 1 |
| C11 | A5 | 122.61 | 1 |
| C8 | B6 | 122.81 | 1 |
| C6 | BB | 127.47 | 1 |
| C19 | B1 | 129.10 | 1 |
| C20 | A1 | 134.80 | 1 |
| C21 | A4 | 139.90 | 1 |
| C22 | B4 | 150.02 | 1 |
| C23 | B3 | 150.95 | 1 |
| C24 | A3 | 151.00 | 1 |
| C7 | BA | 152.26 | 1 |
| C17 | A4AcC=O | 168.74 | 1 |
| C18 | AAcC=O | 169.57 | 1 |
| C16 | GAcC=O | 170.65 | 1 |
| C12 | BG | 193.43 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GAcMe | 20.65 | 1 |
| C3 | AAcMe | 20.79 | 1 |
| C2 | A4AcMe | 21.10 | 1 |
| C4 | OMe | 56.51 | 1 |
| C5 | OMe | 56.65 | 1 |
| C15 | G | 63.19 | 1 |
| C26 | A | 74.57 | 1 |
| C25 | B | 80.02 | 1 |
| C13 | B2 | 112.85 | 1 |
| C14 | A2 | 113.08 | 1 |
| C10 | B5 | 118.49 | 1 |
| C9 | A6 | 120.75 | 1 |
| C11 | A5 | 123.50 | 1 |
| C8 | B6 | 123.91 | 1 |
| C6 | BB | 128.53 | 1 |
| C19 | B1 | 130.22 | 1 |
| C20 | A1 | 136.48 | 1 |
| C21 | A4 | 141.11 | 1 |
| C22 | B4 | 151.22 | 1 |
| C23 | B3 | 152.12 | 1 |
| C24 | A3 | 152.35 | 1 |
| C7 | BA | 153.45 | 1 |
| C17 | A4AcC=O | 169.09 | 1 |
| C18 | AAcC=O | 170.07 | 1 |
| C16 | GAcC=O | 170.88 | 1 |
| C12 | BG | 194.10 | 1 |
| H47 | OMe | 3.82 | 4 |
| H46 | OMe | 3.82 | 4 |
| H48 | OMe | 3.82 | 4 |
| H49 | OMe | 3.90 | 4 |
| H50 | OMe | 3.90 | 4 |
| H51 | OMe | 3.90 | 4 |
| H61 | G1 | 4.27 | 4 |
| H62 | G2 | 4.37 | 4 |
| H63 | B | 4.99 | 4 |
| H64 | A | 6.07 | 4 |
| H52 | BB | 6.79 | 1 |
| H57 | A5 | 7.02 | 1 |
| H55 | A6 | 7.07 | 1 |
| H56 | B5 | 7.11 | 1 |
| H60 | A2 | 7.23 | 1 |
| H54 | B6 | 7.27 | 1 |
| H59 | B2 | 7.38 | 1 |
| H53 | BA | 7.58 | 1 |
| H58 | BG | 9.65 | 1 |