Lignin_cw_compound_168 (C18 H20 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 332.3478
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.87 | 1 |
| C2 | OMe | 55.87 | 1 |
| C11 | G | 61.71 | 1 |
| C18 | A | 74.04 | 1 |
| C17 | B | 81.49 | 1 |
| C9 | A2 | 109.66 | 1 |
| C8 | A5 | 111.06 | 1 |
| C6 | B3 | 116.00 | 1 |
| C7 | B5 | 116.00 | 1 |
| C5 | A6 | 119.16 | 1 |
| C13 | A1 | 130.24 | 1 |
| C3 | B2 | 131.94 | 1 |
| C4 | B6 | 131.94 | 1 |
| C12 | B1 | 132.82 | 1 |
| C16 | A3 | 148.82 | 1 |
| C15 | A4 | 149.00 | 1 |
| C14 | B4 | 162.93 | 1 |
| C10 | BA | 190.78 | 1 |
| C11 | G | 61.37 | 1 |
| C18 | A | 73.62 | 1 |
| C17 | B | 82.58 | 1 |
| H27 | OMe | 3.82 | 1 |
| H26 | OMe | 3.82 | 1 |
| H25 | OMe | 3.82 | 1 |
| H30 | OMe | 3.82 | 1 |
| H29 | OMe | 3.82 | 1 |
| H28 | OMe | 3.82 | 1 |
| H41 | B | 4.54 | 1 |
| H42 | A | 4.99 | 1 |
| H31 | B2 | 7.72 | 1 |
| H32 | B6 | 7.72 | 1 |
| H38 | BA | 9.78 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.03 | 1 |
| C2 | OMe | 56.03 | 1 |
| C11 | G | 62.00 | 1 |
| C18 | A | 73.55 | 1 |
| C17 | B | 83.70 | 1 |
| C9 | A2 | 111.84 | 1 |
| C8 | A5 | 112.22 | 1 |
| C6 | B3 | 116.94 | 1 |
| C7 | B5 | 116.94 | 1 |
| C5 | A6 | 120.09 | 1 |
| C13 | A1 | 130.89 | 1 |
| C3 | B2 | 132.18 | 1 |
| C4 | B6 | 132.18 | 1 |
| C12 | B1 | 135.16 | 1 |
| C16 | A3 | 149.63 | 1 |
| C15 | A4 | 149.93 | 1 |
| C14 | B4 | 164.83 | 1 |
| C10 | BA | 191.01 | 1 |