Lignin_cw_compound_2040 (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-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 55.92 | 1 |
| C2 | B3OMe | 56.47 | 1 |
| C9 | B2 | 112.39 | 1 |
| C10 | A2 | 113.77 | 1 |
| C7 | B5 | 114.39 | 1 |
| C6 | A5 | 115.96 | 1 |
| C8 | BB | 117.50 | 1 |
| C4 | B6 | 122.92 | 1 |
| C13 | A1 | 125.31 | 1 |
| C3 | A6 | 126.06 | 1 |
| C11 | A | 128.49 | 1 |
| C12 | B1 | 130.10 | 1 |
| C18 | B | 138.28 | 1 |
| C5 | BA | 145.25 | 1 |
| C16 | A3 | 148.30 | 1 |
| C15 | B4 | 148.90 | 1 |
| C14 | A4 | 149.46 | 1 |
| C17 | B3 | 150.23 | 1 |
| C20 | G | 164.51 | 1 |
| C19 | BG | 167.91 | 1 |
| H30 | A3OMe | 3.73 | 1 |
| H29 | A3OMe | 3.73 | 1 |
| H31 | A3OMe | 3.73 | 1 |
| H33 | B3OMe | 4.00 | 1 |
| H34 | B3OMe | 4.00 | 1 |
| H32 | B3OMe | 4.00 | 1 |
| H40 | BB | 6.43 | 1 |
| H38 | A5 | 6.82 | 1 |
| H39 | B5 | 6.83 | 1 |
| H36 | B6 | 7.13 | 1 |
| H35 | A6 | 7.23 | 1 |
| H43 | A | 7.42 | 1 |
| H41 | B2 | 7.44 | 1 |
| H42 | A2 | 7.52 | 1 |
| H37 | BA | 7.59 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 55.09 | 1 |
| C2 | B3OMe | 55.86 | 1 |
| C9 | B2 | 111.55 | 1 |
| C10 | A2 | 112.98 | 1 |
| C7 | B5 | 113.30 | 1 |
| C6 | A5 | 115.53 | 1 |
| C8 | BB | 117.52 | 1 |
| C4 | B6 | 122.02 | 1 |
| C13 | A1 | 123.44 | 1 |
| C3 | A6 | 124.62 | 1 |
| C11 | A | 127.09 | 1 |
| C12 | B1 | 128.74 | 1 |
| C18 | B | 137.01 | 1 |
| C5 | BA | 143.71 | 1 |
| C16 | A3 | 147.24 | 1 |
| C15 | B4 | 147.42 | 1 |
| C14 | A4 | 148.59 | 1 |
| C17 | B3 | 148.59 | 1 |
| C20 | G | 164.11 | 1 |
| C19 | BG | 167.70 | 1 |