Lignin_cw_compound_3033 (C20 H18 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 354.35332
This is of the category: 5-5 Dimers
Concentration: Saturated (Source: Takayoshi Higuchi)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.52 | 1 |
| C2 | OMe | 56.52 | 1 |
| C11 | 2 | 110.00 | 1 |
| C12 | 2 | 110.00 | 1 |
| C13 | 1 | 126.05 | 1 |
| C14 | 1 | 126.05 | 1 |
| C15 | 5 | 126.13 | 1 |
| C16 | 5 | 126.13 | 1 |
| C3 | B | 126.81 | 1 |
| C4 | B | 126.81 | 1 |
| C9 | 6 | 127.10 | 1 |
| C10 | 6 | 127.10 | 1 |
| C17 | 3 | 149.42 | 1 |
| C18 | 3 | 149.42 | 1 |
| C19 | 4 | 149.63 | 1 |
| C20 | 4 | 149.63 | 1 |
| C5 | A | 154.40 | 1 |
| C6 | A | 154.40 | 1 |
| C7 | G | 193.92 | 1 |
| C8 | G | 193.92 | 1 |
| H27 | OMe | 3.95 | 1 |
| H28 | OMe | 3.95 | 1 |
| H29 | OMe | 3.95 | 1 |
| H32 | OMe | 3.95 | 1 |
| H31 | OMe | 3.95 | 1 |
| H30 | OMe | 3.95 | 1 |
| H33 | B | 6.68 | 1 |
| H34 | B | 6.68 | 1 |
| H39 | 6 | 7.27 | 1 |
| H40 | 6 | 7.27 | 1 |
| H41 | 2 | 7.36 | 1 |
| H42 | 2 | 7.36 | 1 |
| H35 | A | 7.59 | 1 |
| H36 | A | 7.59 | 1 |
| H37 | G | 9.65 | 1 |
| H38 | G | 9.65 | 1 |