Lignin_cw_compound_2030 (C24 H24 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 456.44196
This is of the category: b-b Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.61 | 4 |
| C2 | AcMe | 20.63 | 4 |
| C16 | BB | 49.89 | 1 |
| C21 | B | 53.14 | 1 |
| C4 | A3OMe | 55.99 | 1 |
| C3 | B3OMe | 56.06 | 1 |
| C11 | BG | 72.80 | 1 |
| C23 | A | 82.99 | 1 |
| C22 | BA | 83.89 | 1 |
| C10 | A2 | 109.13 | 1 |
| C9 | B2 | 109.35 | 1 |
| C6 | A6 | 117.14 | 1 |
| C5 | B6 | 117.22 | 1 |
| C8 | A5 | 122.98 | 1 |
| C7 | B5 | 123.38 | 1 |
| C14 | B1 | 138.04 | 1 |
| C18 | A4 | 139.26 | 1 |
| C15 | A1 | 139.32 | 1 |
| C17 | B4 | 139.96 | 1 |
| C20 | A3 | 151.35 | 1 |
| C19 | B3 | 151.66 | 1 |
| C12 | AcC=O | 169.04 | 4 |
| C13 | AcC=O | 168.90 | 4 |
| C24 | G | 176.66 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.45 | 1 |
| C2 | AcMe | 20.45 | 1 |
| C16 | BB | 50.33 | 1 |
| C21 | B | 53.59 | 1 |
| C4 | A3OMe | 56.24 | 1 |
| C3 | B3OMe | 56.35 | 1 |
| C11 | BG | 73.72 | 1 |
| C23 | A | 84.01 | 1 |
| C22 | BA | 84.93 | 1 |
| C10 | A2 | 110.86 | 1 |
| C9 | B2 | 111.05 | 1 |
| C6 | A6 | 118.40 | 1 |
| C5 | B6 | 118.53 | 1 |
| C8 | A5 | 123.65 | 1 |
| C7 | B5 | 123.96 | 1 |
| C14 | B1 | 139.95 | 1 |
| C18 | A4 | 140.40 | 1 |
| C15 | A1 | 140.68 | 1 |
| C17 | B4 | 140.96 | 1 |
| C20 | A3 | 152.38 | 1 |
| C19 | B3 | 152.62 | 1 |
| C12 | AcC=O | 168.98 | 4 |
| C13 | AcC=O | 168.94 | 4 |
| C24 | G | 177.49 | 1 |
| H55 | B | 3.72 | 1 |
| H54 | BB | 3.45 | 1 |
| H52 | BGtrans | 4.12 | 2 |
| H53 | BGcis | 4.39 | 2 |
| H56 | BA | 5.52 | 1 |
| H57 | A | 5.29 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.39 | 1 |
| C2 | AcMe | 20.39 | 1 |
| C16 | BB | 48.62 | 1 |
| C21 | B | 52.19 | 1 |
| C4 | A3OMe | 55.82 | 1 |
| C3 | B3OMe | 55.95 | 1 |
| C11 | BG | 72.51 | 1 |
| C23 | A | 82.49 | 1 |
| C22 | BA | 83.93 | 1 |
| C10 | A2 | 110.37 | 1 |
| C9 | B2 | 110.69 | 1 |
| C6 | A6 | 117.87 | 1 |
| C5 | B6 | 118.00 | 1 |
| C8 | A5 | 122.80 | 1 |
| C7 | B5 | 123.07 | 1 |
| C14 | B1 | 138.71 | 1 |
| C18 | A4 | 138.80 | 1 |
| C15 | A1 | 139.21 | 1 |
| C17 | B4 | 139.30 | 1 |
| C20 | A3 | 150.88 | 1 |
| C19 | B3 | 151.05 | 1 |
| C12 | AcC=O | 168.57 | 4 |
| C13 | AcC=O | 168.53 | 4 |
| C24 | G | 176.98 | 1 |