Lignin_cw_compound_3030 (C20 H18 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 354.35332
This is of the category: b-5 Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 55.55 | 1 |
| C2 | B3OMe | 56.63 | 1 |
| C11 | B2 | 110.61 | 1 |
| C10 | A2 | 113.56 | 1 |
| C6 | A5 | 115.95 | 1 |
| C15 | AB | 123.15 | 1 |
| C9 | B6 | 126.36 | 1 |
| C5 | A6 | 126.92 | 1 |
| C3 | BB | 127.29 | 1 |
| C14 | A1 | 127.38 | 1 |
| C13 | B1 | 127.44 | 1 |
| C9 | B5 | 136.33 | 1 |
| C18 | A3 | 148.13 | 1 |
| C20 | B4 | 148.59 | 1 |
| C18 | A3 | 149.30 | 1 |
| C20 | B4 | 150.16 | 1 |
| C8 | AA | 151.36 | 1 |
| C4 | BA | 153.79 | 1 |
| C12 | AG | 193.43 | 1 |
| C7 | BG | 193.96 | 1 |
| H27 | A3OMe | 3.47 | 1 |
| H28 | A3OMe | 3.47 | 1 |
| H29 | A3OMe | 3.47 | 1 |
| H30 | B3OMe | 3.96 | 1 |
| H31 | B3OMe | 3.96 | 1 |
| H32 | B3OMe | 3.96 | 1 |
| H34 | BB | 6.66 | 1 |
| H36 | A5 | 6.77 | 1 |
| H40 | A2 | 6.87 | 1 |
| H35 | A6 | 6.98 | 1 |
| H39 | B6 | 7.01 | 1 |
| H41 | B2 | 7.44 | 1 |
| H38 | AA | 7.57 | 1 |
| H34 | BA | 7.57 | 1 |
| H43 | OH | 8.43 | 2 |
| H44 | OH | 8.43 | 2 |
| HX | BG | 9.61 | 1 |
| HX | AG | 9.69 | 1 |