Lignin_cw_compound_3031 (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: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Takayoshi Higuchi)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | B3OMe | 56.01 | 1 |
| C1 | A3OMe | 56.52 | 1 |
| C11 | B2 | 112.55 | 1 |
| C12 | A2 | 113.98 | 1 |
| C8 | B5 | 115.25 | 1 |
| C7 | A5 | 116.25 | 1 |
| C6 | B6 | 123.63 | 1 |
| C12 | A1 | 125.31 | 1 |
| C5 | A6 | 126.80 | 1 |
| C3 | BB | 128.32 | 1 |
| C14 | B1 | 130.20 | 1 |
| C10 | AA | 138.21 | 1 |
| C16 | AB | 147.70 | 1 |
| C20 | B3 | 148.48 | 1 |
| C18 | B4 | 148.90 | 1 |
| C19 | A3 | 150.37 | 1 |
| C17 | A4 | 150.56 | 1 |
| C4 | BA | 153.15 | 1 |
| C13 | AG | 197.48 | 1 |
| C9 | BG | 193.85 | 1 |