Lignin_cw_compound_246 (C24 H28 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 476.47312
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain, a-C=O
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.43 | 1 |
| C2 | GAcMe | 20.75 | 1 |
| C1 | BA | 21.82 | 1 |
| C4 | BOMe | 55.86 | 1 |
| C5 | BOMe | 55.86 | 1 |
| C6 | AOMe | 56.29 | 1 |
| C7 | AOMe | 56.29 | 1 |
| C12 | G | 64.15 | 1 |
| C21 | B | 81.65 | 1 |
| C8 | B2 | 105.93 | 1 |
| C9 | B6 | 105.93 | 1 |
| C10 | A2 | 106.25 | 1 |
| C11 | A6 | 106.25 | 1 |
| C23 | A4 | 133.03 | 1 |
| C24 | B4 | 133.50 | 1 |
| C16 | A1 | 133.57 | 1 |
| C13 | B1 | 134.31 | 1 |
| C19 | A3 | 152.09 | 1 |
| C20 | A5 | 152.09 | 1 |
| C17 | B3 | 152.49 | 1 |
| C18 | B5 | 152.49 | 1 |
| C15 | A4AcC=O | 168.14 | 1 |
| C14 | GAcC=O | 170.75 | 1 |
| C22 | A | 194.84 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.22 | 1 |
| C2 | GAcMe | 20.60 | 1 |
| C1 | BA | 21.73 | 1 |
| C4 | BOMe | 56.19 | 1 |
| C5 | BOMe | 56.19 | 1 |
| C6 | AOMe | 56.60 | 1 |
| C7 | AOMe | 56.60 | 1 |
| C12 | G | 64.34 | 1 |
| C21 | B | 81.24 | 1 |
| C8 | B2 | 106.75 | 1 |
| C9 | B6 | 106.75 | 1 |
| C10 | A2 | 106.80 | 1 |
| C11 | A6 | 106.80 | 1 |
| C23 | A4 | 133.82 | 1 |
| C24 | B4 | 134.25 | 1 |
| C16 | A1 | 134.72 | 1 |
| C13 | B1 | 134.88 | 1 |
| C19 | A3 | 153.11 | 1 |
| C20 | A5 | 153.11 | 1 |
| C17 | B3 | 153.51 | 1 |
| C18 | B5 | 153.51 | 1 |
| C15 | A4AcC=O | 168.20 | 1 |
| C14 | GAcC=O | 170.73 | 1 |
| C22 | A | 195.23 | 1 |
| H43 | A4AcMe | 1.90 | 1 |
| H42 | A4AcMe | 1.90 | 1 |
| H41 | A4AcMe | 1.90 | 1 |
| H36 | BA | 2.08 | 1 |
| H35 | BA | 2.08 | 1 |
| H37 | BA | 2.08 | 1 |
| H38 | GAcMe | 2.26 | 1 |
| H39 | GAcMe | 2.26 | 1 |
| H40 | GAcMe | 2.26 | 1 |
| H46 | BOMe | 3.70 | 1 |
| H45 | BOMe | 3.70 | 1 |
| H48 | BOMe | 3.70 | 1 |
| H47 | AOMe | 3.85 | 1 |
| H49 | AOMe | 3.85 | 1 |
| H50 | AOMe | 3.85 | 1 |
| H60 | G | 4.49 | 1 |
| H61 | G | 4.49 | 1 |
| H62 | B | 5.50 | 1 |
| H56 | B2 | 6.47 | 1 |
| H57 | B6 | 6.47 | 1 |
| H58 | A2 | 7.49 | 1 |
| H59 | A6 | 7.49 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.08 | 1 |
| C2 | GAcMe | 20.42 | 1 |
| C1 | BA | 21.32 | 1 |
| C4 | BOMe | 55.65 | 1 |
| C5 | BOMe | 55.65 | 1 |
| C6 | AOMe | 56.12 | 1 |
| C7 | AOMe | 56.12 | 1 |
| C12 | G | 63.26 | 1 |
| C21 | B | 79.70 | 1 |
| C8 | B2 | 105.93 | 1 |
| C9 | B6 | 105.93 | 1 |
| C10 | A2 | 105.58 | 1 |
| C11 | A6 | 105.58 | 1 |
| C23 | A4 | 132.20 | 1 |
| C24 | B4 | 132.74 | 1 |
| C16 | A1 | 133.61 | 1 |
| C13 | B1 | 133.33 | 1 |
| C19 | A3 | 151.75 | 1 |
| C20 | A5 | 151.75 | 1 |
| C17 | B3 | 152.05 | 1 |
| C18 | B5 | 152.05 | 1 |
| C15 | A4AcC=O | 167.79 | 1 |
| C14 | GAcC=O | 170.03 | 1 |
| C22 | A | 194.40 | 1 |