Lignin_cw_compound_2054 (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: 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 | 55.48 | 1 |
| C2 | B3OMe | 56.55 | 1 |
| C17 | B2 | 110.27 | 1 |
| C16 | A2 | 113.26 | 1 |
| C5 | A5 | 115.63 | 1 |
| C6 | BB | 116.23 | 1 |
| C13 | B5 | 125.14 | 1 |
| C7 | B6 | 125.60 | 1 |
| C14 | B | 126.34 | 1 |
| C3 | A6 | 126.36 | 1 |
| C10 | B1 | 127.26 | 1 |
| C11 | A1 | 127.58 | 1 |
| C8 | A | 141.81 | 1 |
| C4 | BA | 145.80 | 1 |
| C16 | A3 | 147.86 | 1 |
| C19 | B4 | 148.01 | 1 |
| C15 | A4 | 148.98 | 1 |
| C17 | B3 | 149.10 | 1 |
| C18 | BG | 168.56 | 1 |
| C20 | G | 169.15 | 1 |
| H31 | A3OMe | 3.45 | 1 |
| H30 | A3OMe | 3.45 | 1 |
| H29 | A3OMe | 3.45 | 1 |
| H32 | B3OMe | 3.95 | 1 |
| H33 | B3OMe | 3.95 | 1 |
| H34 | B3OMe | 3.95 | 1 |
| H38 | BB | 6.38 | 1 |
| H37 | A5 | 6.71 | 1 |
| H41 | A2 | 6.73 | 1 |
| H35 | A6 | 6.85 | 1 |
| H39 | B6 | 7.03 | 1 |
| H42 | B2 | 7.37 | 1 |
| H36 | BA | 7.60 | 1 |
| H40 | A | 7.81 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 54.62 | 1 |
| C2 | B3OMe | 56.06 | 1 |
| C17 | B2 | 109.76 | 1 |
| C16 | A2 | 112.79 | 1 |
| C5 | A5 | 115.63 | 1 |
| C6 | BB | 115.92 | 1 |
| C13 | B5 | 124.57 | 1 |
| C7 | B6 | 124.38 | 1 |
| C14 | B | 125.90 | 1 |
| C3 | A6 | 124.95 | 1 |
| C10 | B1 | 125.66 | 1 |
| C11 | A1 | 125.88 | 1 |
| C8 | A | 139.75 | 1 |
| C4 | BA | 144.28 | 1 |
| C16 | A3 | 145.82 | 1 |
| C19 | B4 | 147.00 | 1 |
| C15 | A4 | 148.05 | 1 |
| C17 | B3 | 148.12 | 1 |
| C18 | BG | 167.86 | 1 |
| C20 | G | 168.38 | 1 |