Lignin_cw_compound_2033 (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-b Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C17 | BB | 52.64 | 1 |
| C1 | A3OMe | 55.54 | 1 |
| C2 | B3OMe | 55.67 | 1 |
| C18 | BA | 80.17 | 1 |
| C9 | B2 | 110.31 | 1 |
| C8 | A2 | 113.67 | 1 |
| C6 | B5 | 115.61 | 1 |
| C5 | A5 | 115.70 | 1 |
| C4 | B6 | 118.21 | 1 |
| C12 | B | 119.08 | 1 |
| C10 | A1 | 124.72 | 1 |
| C3 | A6 | 125.56 | 1 |
| C11 | B1 | 130.42 | 1 |
| C7 | A | 139.48 | 1 |
| C14 | B4 | 147.07 | 1 |
| C15 | A3 | 147.72 | 1 |
| C16 | B3 | 147.76 | 1 |
| C13 | A4 | 149.54 | 1 |
| C20 | G | 171.02 | 1 |
| C19 | BG | 171.72 | 1 |
| H33 | B3OMe | 3.81 | 1 |
| H32 | B3OMe | 3.81 | 1 |
| H34 | B3OMe | 3.81 | 1 |
| H29 | A3OMe | 3.87 | 1 |
| H30 | A3OMe | 3.87 | 1 |
| H31 | A3OMe | 3.87 | 1 |
| H42 | BB | 4.30 | 1 |
| H43 | BA | 5.75 | 1 |
| H38 | B5 | 6.82 | 1 |
| H35 | B6 | 6.82 | 1 |
| H37 | A5 | 6.89 | 1 |
| H41 | B2 | 6.98 | 1 |
| H35 | A6 | 7.21 | 1 |
| H40 | A2 | 7.37 | 1 |
| H38 | A | 7.61 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C17 | BB | 54.03 | 1 |
| C1 | A3OMe | 56.27 | 1 |
| C2 | B3OMe | 56.27 | 1 |
| C18 | BA | 81.24 | 1 |
| C9 | B2 | 110.17 | 1 |
| C8 | A2 | 113.95 | 1 |
| C6 | B5 | 116.04 | 1 |
| C5 | A5 | 116.20 | 1 |
| C4 | B6 | 119.17 | 1 |
| C12 | B | 120.45 | 1 |
| C10 | A1 | 126.54 | 1 |
| C3 | A6 | 126.58 | 1 |
| C11 | B1 | 132.37 | 1 |
| C7 | A | 140.46 | 1 |
| C14 | B4 | 147.97 | 1 |
| C15 | A3 | 148.54 | 1 |
| C16 | B3 | 148.63 | 1 |
| C13 | A4 | 150.20 | 1 |
| C20 | G | 171.66 | 1 |
| C19 | BG | 172.12 | 1 |