Lignin_cw_compound_3010 (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 | 55.90 | 1 |
| C5 | OMe | 55.98 | 1 |
| C15 | G | 62.81 | 1 |
| C26 | A | 74.14 | 1 |
| C25 | B | 79.67 | 1 |
| C13 | B2 | 111.28 | 1 |
| C14 | A2 | 111.58 | 1 |
| C10 | B5 | 117.36 | 1 |
| C9 | A6 | 119.48 | 1 |
| C11 | A5 | 122.71 | 1 |
| C8 | B6 | 122.89 | 1 |
| C6 | BB | 127.40 | 1 |
| C19 | B1 | 128.88 | 1 |
| C20 | A1 | 134.87 | 1 |
| C21 | A4 | 140.01 | 1 |
| C22 | B4 | 150.72 | 1 |
| C23 | B3 | 150.68 | 1 |
| C24 | A3 | 151.16 | 1 |
| C7 | BA | 152.26 | 1 |
| C17 | A4AcC=O | 168.72 | 1 |
| C18 | AAcC=O | 169.41 | 1 |
| C16 | GAcC=O | 170.48 | 1 |
| C12 | BG | 193.43 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GAcMe | 20.43 | 1 |
| C3 | AAcMe | 20.57 | 1 |
| C2 | A4AcMe | 20.88 | 1 |
| C4 | OMe | 56.30 | 1 |
| C5 | OMe | 56.41 | 1 |
| C15 | G | 63.45 | 1 |
| C26 | A | 75.19 | 1 |
| C25 | B | 80.26 | 1 |
| C13 | B2 | 112.56 | 1 |
| C14 | A2 | 112.66 | 1 |
| C10 | B5 | 117.85 | 1 |
| C9 | A6 | 120.34 | 1 |
| C11 | A5 | 123.61 | 1 |
| C8 | B6 | 123.76 | 1 |
| C6 | BB | 128.23 | 1 |
| C19 | B1 | 129.89 | 1 |
| C20 | A1 | 136.40 | 1 |
| C21 | A4 | 140.99 | 1 |
| C22 | B4 | 151.73 | 1 |
| C23 | B3 | 151.73 | 1 |
| C24 | A3 | 152.26 | 1 |
| C7 | BA | 153.29 | 1 |
| C17 | A4AcC=O | 168.87 | 1 |
| C18 | AAcC=O | 169.85 | 1 |
| C16 | GAcC=O | 170.66 | 1 |
| C12 | BG | 193.61 | 1 |
| H39 | AcMe | 2.01 | 4 |
| H37 | AcMe | 2.01 | 4 |
| H38 | AcMe | 2.01 | 4 |
| H41 | AcMe | 2.08 | 4 |
| H40 | AcMe | 2.08 | 4 |
| H42 | AcMe | 2.08 | 4 |
| H45 | AcMe | 2.21 | 4 |
| H44 | AcMe | 2.21 | 4 |
| H43 | AcMe | 2.21 | 4 |
| H47 | OMe | 3.82 | 4 |
| H46 | OMe | 3.82 | 4 |
| H48 | OMe | 3.82 | 4 |
| H49 | OMe | 3.91 | 4 |
| H50 | OMe | 3.91 | 4 |
| H51 | OMe | 3.91 | 4 |
| H61 | G1 | 4.07 | 1 |
| H62 | G2 | 4.28 | 1 |
| H63 | B | 4.96 | 1 |
| H64 | A | 6.11 | 1 |
| H52 | BB | 6.70 | 1 |
| H57 | A5 | 7.03 | 1 |
| H55 | A6 | 7.08 | 1 |
| H56 | B5 | 7.15 | 1 |
| H60 | A2 | 7.24 | 1 |
| H54 | B6 | 7.25 | 1 |
| H59 | B2 | 7.40 | 1 |
| H53 | BA | 7.59 | 1 |
| H58 | BG | 9.66 | 1 |