Lignin_cw_compound_3003 (C20 H18 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 386.35212
This is of the category: 5-O-4 Dimers
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B3OMe | 56.40 | 1 |
| C2 | A3OMe | 56.76 | 1 |
| C10 | A2 | 108.03 | 1 |
| C9 | B2 | 112.7 | 1 |
| C11 | A6 | 114.46 | 1 |
| C8 | AB | 117.00 | 1 |
| C7 | BB | 117.95 | 1 |
| C6 | B5 | 118.33 | 1 |
| C3 | B6 | 122.80 | 1 |
| C13 | A1 | 126.71 | 1 |
| C12 | B1 | 131.06 | 1 |
| C20 | A4 | 141.38 | 1 |
| C17 | A5 | 144.44 | 1 |
| C5 | AA | 145.23 | 1 |
| C4 | BA | 145.38 | 1 |
| C14 | B4 | 149.34 | 1 |
| C16 | A3 | 150.12 | 1 |
| C15 | B3 | 151.38 | 1 |
| C18 | BG | 168.02 | 1 |
| C19 | AG | 168.05 | 1 |
| H30 | B3OMe | 3.58 | 1 |
| H29 | B3OMe | 3.58 | 1 |
| H31 | B3OMe | 3.58 | 1 |
| H34 | A3OMe | 3.88 | 1 |
| H32 | A3OMe | 3.88 | 1 |
| H33 | A3OMe | 3.88 | 1 |
| H40 | AB | 6.36 | 1 |
| H39 | BB | 6.47 | 1 |
| H38 | B5 | 6.82 | 1 |
| H43 | A6 | 6.90 | 1 |
| H35 | B6 | 7.22 | 1 |
| H42 | A2 | 7.22 | 1 |
| H41 | B2 | 7.45 | 1 |
| H37 | AA | 7.54 | 1 |
| H36 | BA | 7.63 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B3OMe | 55.85 | 1 |
| C2 | A3OMe | 56.24 | 1 |
| C10 | A2 | 107.58 | 1 |
| C9 | B2 | 111.86 | 1 |
| C11 | A6 | 114.05 | 1 |
| C8 | AB | 116.96 | 1 |
| C7 | BB | 118.00 | 1 |
| C6 | B5 | 116.34 | 1 |
| C3 | B6 | 121.91 | 1 |
| C13 | A1 | 125.22 | 1 |
| C12 | B1 | 129.43 | 1 |
| C20 | A4 | 140.35 | 1 |
| C17 | A5 | 142.94 | 1 |
| C5 | AA | 143.81 | 1 |
| C4 | BA | 143.63 | 1 |
| C14 | B4 | 148.05 | 1 |
| C16 | A3 | 149.28 | 1 |
| C15 | B3 | 149.56 | 1 |
| C18 | BG | 167.82 | 1 |
| C19 | AG | 167.82 | 1 |
| H30 | B3OMe | 3.85 | 1 |
| H29 | B3OMe | 3.85 | 1 |
| H31 | B3OMe | 3.85 | 1 |
| H34 | A3OMe | 3.86 | 1 |
| H32 | A3OMe | 3.86 | 1 |
| H33 | A3OMe | 3.86 | 1 |
| H40 | AB | 6.35 | 1 |
| H39 | BB | 6.47 | 1 |
| H38 | B5 | 6.59 | 1 |
| H43 | A6 | 6.85 | 1 |
| H35 | B6 | 7.12 | 1 |
| H42 | A2 | 7.20 | 1 |
| H41 | B2 | 7.43 | 1 |
| H37 | AA | 7.42 | 1 |
| H36 | BA | 7.51 | 1 |