Lignin_cw_compound_3017 (C20 H20 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 356.3692
This is of the category: b-b Dimers
Concentration: Saturated (Source: Liming Zhang)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C5 | A | 29.73 | 1 |
| C13 | B | 41.98 | 1 |
| C14 | BB | 47.61 | 1 |
| C19 | BA | 49.95 | 1 |
| C1 | OMe | 55.99 | 4 |
| C2 | OMe | 56.03 | 4 |
| C9 | BG | 71.78 | 1 |
| C6 | B2 | 112.25 | 1 |
| C7 | A2 | 112.93 | 1 |
| C4 | B5 | 115.61 | 1 |
| C8 | A5 | 116.23 | 1 |
| C3 | B6 | 121.92 | 1 |
| C11 | A1 | 126.77 | 1 |
| C12 | A6 | 132.87 | 1 |
| C10 | B1 | 135.09 | 1 |
| C16 | A4 | 145.61 | 1 |
| C15 | B4 | 146.29 | 1 |
| C18 | A3 | 146.89 | 1 |
| C17 | B3 | 148.42 | 1 |
| C20 | G | 177.15 | 1 |
| H43 | BB | 2.67 | 1 |
| H42 | AB | 2.67 | 1 |
| H35 | AA | 3.07 | 1 |
| H36 | AA | 3.07 | 1 |
| H28 | OMe | 3.78 | 4 |
| H27 | OMe | 3.78 | 4 |
| H29 | OMe | 3.78 | 4 |
| H31 | OMe | 3.82 | 4 |
| H30 | OMe | 3.82 | 4 |
| H32 | OMe | 3.82 | 4 |
| H44 | BA | 3.95 | 1 |
| H40 | BG | 4.10 | 1 |
| H41 | BG | 4.10 | 1 |
| H39 | A5 | 6.26 | 1 |
| H33 | B6 | 6.69 | 1 |
| H38 | A2 | 6.79 | 1 |
| H37 | B2 | 6.80 | 1 |
| H34 | B5 | 6.80 | 1 |