Lignin_cw_compound_3007 (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-1 Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.60 | 4 |
| C3 | AcMe | 20.79 | 4 |
| C4 | AcMe | 20.96 | 4 |
| C21 | B | 50.13 | 1 |
| C5 | OMe | 55.85 | 1 |
| C6 | OMe | 55.85 | 1 |
| C14 | G | 63.96 | 1 |
| C26 | A | 74.76 | 1 |
| C1 | G' | 107.76 | 1 |
| C12 | A2 | 111.65 | 1 |
| C11 | B2 | 113.15 | 1 |
| C8 | A6 | 119.35 | 1 |
| C7 | B6 | 121.12 | 1 |
| C10 | A5 | 121.61 | 1 |
| C9 | B5 | 122.45 | 1 |
| C19 | B1 | 135.71 | 1 |
| C20 | A1 | 136.32 | 1 |
| C23 | B4 | 139.10 | 1 |
| C22 | A4 | 142.55 | 1 |
| C24 | B3 | 150.75 | 1 |
| C25 | A3 | 150.75 | 1 |
| C15 | B' | 157.84 | 1 |
| C17 | B4AcC=O | 168.79 | 1 |
| C18 | AAcC=O | 169.70 | 1 |
| C16 | GAcC=O | 170.69 | 1 |
| C13 | A' | 186.74 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.43 | 4 |
| C3 | AcMe | 20.66 | 4 |
| C4 | AcMe | 20.83 | 4 |
| C21 | B | 51.07 | 1 |
| C5 | OMe | 56.12 | 4 |
| C6 | OMe | 56.22 | 4 |
| C14 | G | 64.82 | 1 |
| C26 | A | 75.38 | 1 |
| C1 | G' | 108.01 | 1 |
| C12 | A2 | 122.68 | 1 |
| C11 | B2 | 114.44 | 1 |
| C8 | A6 | 120.17 | 1 |
| C7 | B6 | 122.12 | 1 |
| C10 | A5 | 122.14 | 1 |
| C9 | B5 | 123.16 | 1 |
| C19 | B1 | 137.41 | 1 |
| C20 | A1 | 138.17 | 1 |
| C23 | B4 | 140.07 | 1 |
| C22 | A4 | 143.24 | 1 |
| C24 | B3 | 151.76 | 1 |
| C25 | A3 | 151.81 | 1 |
| C15 | B' | 159.33 | 1 |
| C17 | B4AcC=O | 168.91 | 1 |
| C18 | AAcC=O | 169.94 | 1 |
| C16 | GAcC=O | 170.71 | 1 |
| C13 | A' | 187.55 | 1 |
| H39 | GAcMe | 1.94 | 1 |
| H40 | GAcMe | 1.94 | 1 |
| H41 | GAcMe | 1.94 | 1 |
| H45 | AAcMe | 2.00 | 1 |
| H46 | AAcMe | 2.00 | 1 |
| H47 | AAcMe | 2.00 | 1 |
| H42 | ArAcMe | 2.07 | 1 |
| H43 | ArAcMe | 2.07 | 1 |
| H44 | ArAcMe | 2.07 | 1 |
| H63 | B | 3.50 | 1 |
| H48 | OMe | 3.69 | 4 |
| H49 | OMe | 3.69 | 4 |
| H50 | OMe | 3.69 | 4 |
| H51 | OMe | 3.76 | 4 |
| H52 | OMe | 3.76 | 4 |
| H53 | OMe | 3.76 | 4 |
| H61 | G1 | 4.22 | 1 |
| H62 | G2 | 4.38 | 1 |
| H37 | G1' | 5.00 | 1 |
| H38 | G2' | 5.38 | 1 |
| H26 | A | 6.19 | 1 |
| H54 | B6 | 6.81 | 1 |
| H59 | A2 | 6.88 | 1 |
| H55 | A6 | 6.89 | 1 |
| H56 | B5 | 6.94 | 1 |
| H57 | A5 | 6.97 | 1 |
| H59 | A2 | 6.99 | 1 |
| H32 | a' | 9.45 | 1 |