Lignin_cw_compound_3008 (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: Liming Zhang)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.41 | 4 |
| C2 | AcMe | 20.55 | 4 |
| C3 | AcMe | 20.75 | 4 |
| C4 | AcMe | 20.89 | 4 |
| C5 | OMe | 56.23 | 4 |
| C6 | OMe | 56.27 | 4 |
| C16 | G | 63.54 | 1 |
| C13 | BG | 65.33 | 1 |
| C28 | A | 75.29 | 1 |
| C27 | B | 80.62 | 1 |
| C14 | B2 | 111.30 | 1 |
| C15 | A2 | 112.63 | 1 |
| C11 | B5 | 118.73 | 1 |
| C10 | A6 | 120.28 | 1 |
| C9 | B6 | 120.52 | 1 |
| C7 | BB | 123.25 | 1 |
| C12 | A5 | 123.54 | 1 |
| C21 | B1 | 132.34 | 1 |
| C8 | BA | 134.14 | 1 |
| C22 | A1 | 136.59 | 1 |
| C23 | A4 | 140.90 | 1 |
| C24 | B4 | 149.08 | 1 |
| C25 | B3 | 151.74 | 1 |
| C26 | A3 | 152.21 | 1 |
| C19 | A4AcC=O | 168.85 | 1 |
| C20 | AAcC=O | 169.95 | 1 |
| C18 | GAcC=O | 170.64 | 1 |
| C17 | BGAcC=O | 170.64 | 1 |
| H45 | GAcMe | 1.95 | 1 |
| H43 | GAcMe | 1.95 | 1 |
| H44 | GAcMe | 1.95 | 1 |
| H42 | BGAcMe | 2.01 | 1 |
| H41 | BGAcMe | 2.01 | 1 |
| H40 | BGAcMe | 2.01 | 1 |
| H51 | AAcMe | 2.02 | 1 |
| H50 | AAcMe | 2.02 | 1 |
| H49 | AAcMe | 2.02 | 1 |
| H47 | A4AcMe | 2.21 | 1 |
| H46 | A4AcMe | 2.21 | 1 |
| H48 | A4AcMe | 2.21 | 1 |
| H53 | OMe | 3.82 | 4 |
| H52 | OMe | 3.82 | 4 |
| H54 | OMe | 3.82 | 4 |
| H55 | OMe | 3.85 | 4 |
| H56 | OMe | 3.85 | 4 |
| H57 | OMe | 3.85 | 4 |
| H68 | G1 | 4.02 | 1 |
| H69 | G2 | 4.25 | 1 |
| H64 | BG | 4.66 | 1 |
| H65 | BG | 4.66 | 1 |
| H70 | B | 4.81 | 1 |
| H71 | A | 6.10 | 1 |
| H58 | BB | 6.26 | 1 |
| H59 | BA | 6.63 | 1 |
| H60 | B6 | 6.95 | 1 |
| H62 | B5 | 7.00 | 1 |
| H63 | A5 | 7.03 | 1 |
| H61 | A6 | 7.09 | 1 |
| H66 | B2 | 7.14 | 1 |
| H67 | A2 | 7.22 | 1 |