Lignin_cw_compound_267 (C24 H24 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 424.44316
This is of the category: b-5 Dimers
Concentration: Saturated (Source: Larry L. Landucci)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.89 | 4 |
| C2 | AcMe | 21.11 | 4 |
| C3 | AcMe | 21.19 | 4 |
| C22 | B | 50.26 | 1 |
| C12 | BG | 65.35 | 1 |
| C14 | AG | 65.68 | 1 |
| C24 | A | 87.22 | 1 |
| C11 | B3 | 109.86 | 1 |
| C4 | BB | 121.03 | 1 |
| C9 | A3 | 121.98 | 1 |
| C10 | A5 | 121.98 | 1 |
| C13 | B6 | 122.89 | 1 |
| C7 | A2 | 126.89 | 1 |
| C8 | A6 | 126.89 | 1 |
| C21 | B5 | 126.49 | 1 |
| C6 | B2 | 128.55 | 1 |
| C18 | B1 | 129.87 | 1 |
| C5 | BA | 134.16 | 1 |
| C19 | A1 | 138.63 | 1 |
| C20 | A4 | 150.64 | 1 |
| C23 | B4 | 159.85 | 1 |
| C17 | A4C=O | 169.44 | 1 |
| C15 | BGC=O | 170.96 | 1 |
| C16 | AGC=O | 170.84 | 1 |
| H32 | AcMe | 2.07 | 4 |
| H33 | AcMe | 2.07 | 4 |
| H34 | AcMe | 2.07 | 4 |
| H35 | AcMe | 2.10 | 4 |
| H36 | AcMe | 2.10 | 4 |
| H37 | AcMe | 2.10 | 4 |
| H38 | AcMe | 2.30 | 4 |
| H39 | AcMe | 2.30 | 4 |
| H40 | AcMe | 2.30 | 4 |
| H22 | B | 3.70 | 1 |
| H52 | G1 | 4.29 | 1 |
| H53 | G2 | 4.46 | 1 |
| H49 | BG | 4.71 | 1 |
| H50 | BG | 4.71 | 1 |
| H55 | A | 5.54 | 1 |
| H41 | BB | 6.14 | 1 |
| H42 | BA | 6.61 | 1 |
| H48 | B3 | 6.85 | 1 |
| H46 | A3 | 7.09 | 1 |
| H47 | A5 | 7.09 | 1 |
| H43 | B2 | 7.27 | 1 |
| H51 | B6 | 7.27 | 1 |
| H44 | A2 | 7.37 | 1 |
| H45 | A6 | 7.37 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.67 | 4 |
| C2 | AcMe | 20.81 | 4 |
| C3 | AcMe | 20.94 | 4 |
| C22 | B | 51.06 | 1 |
| C12 | BG | 65.51 | 1 |
| C14 | AG | 66.10 | 1 |
| C24 | A | 87.85 | 1 |
| C11 | B3 | 110.20 | 1 |
| C4 | BB | 122.13 | 1 |
| C9 | A3 | 122.88 | 1 |
| C10 | A5 | 122.88 | 1 |
| C13 | B6 | 123.88 | 1 |
| C7 | A2 | 127.70 | 1 |
| C8 | A6 | 127.70 | 1 |
| C21 | B5 | 127.98 | 1 |
| C6 | B2 | 129.19 | 1 |
| C18 | B1 | 130.82 | 1 |
| C5 | BA | 134.43 | 1 |
| C19 | A1 | 139.84 | 1 |
| C20 | A4 | 151.77 | 1 |
| C23 | B4 | 160.77 | 1 |
| C17 | A4C=O | 169.62 | 1 |
| C15 | BGC=O | 170.77 | 1 |
| C16 | AGC=O | 170.94 | 1 |
| H32 | AcMe | 2.00 | 4 |
| H33 | AcMe | 2.00 | 4 |
| H34 | AcMe | 2.00 | 4 |
| H35 | AcMe | 2.01 | 4 |
| H36 | AcMe | 2.01 | 4 |
| H37 | AcMe | 2.01 | 4 |
| H38 | AcMe | 2.24 | 4 |
| H39 | AcMe | 2.24 | 4 |
| H40 | AcMe | 2.24 | 4 |
| H22 | B | 3.74 | 1 |
| H52 | G1 | 4.34 | 1 |
| H53 | G2 | 4.46 | 1 |
| H49 | BG | 4.66 | 1 |
| H50 | BG | 4.66 | 1 |
| H55 | A | 5.64 | 1 |
| H41 | BB | 6.23 | 1 |
| H42 | BA | 6.66 | 1 |
| H48 | B3 | 6.85 | 1 |
| H46 | A3 | 7.13 | 1 |
| H47 | A5 | 7.13 | 1 |
| H43 | B2 | 7.33 | 1 |
| H44 | A2 | 7.45 | 1 |
| H45 | A6 | 7.45 | 1 |
| H51 | B6 | 7.45 | 1 |