Lignin_cw_compound_3068 (C20 H22 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 374.38448
This is of the category: 5-Hyroxyconiferyl alcohol b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | B3-OMe | 56.2 | 1 |
| C1 | A3-OMe | 56.2 | 1 |
| C11 | AG | 61.9 | 1 |
| C7 | BG | 63.6 | 1 |
| C19 | AA | 76.7 | 1 |
| C18 | AB | 79.3 | 1 |
| C8 | B2 | 103.2 | 1 |
| C9 | B6 | 108.5 | 1 |
| C10 | A2 | 111.7 | 1 |
| C6 | A5 | 115.7 | 1 |
| C5 | A6 | 121.4 | 1 |
| C3 | BB | 129.0 | 1 |
| C13 | A1 | 129.1 | 1 |
| C4 | BA | 130.1 | 1 |
| C12 | B1 | 130.3 | 1 |
| C20 | B4 | 133.7 | 1 |
| C17 | B5 | 145.2 | 1 |
| C14 | A4 | 147.8 | 1 |
| C15 | A3 | 148.3 | 1 |
| C16 | B3 | 149.8 | 1 |
| H43 | AG1 | 3.50 | 1 |
| H44 | AG2 | 3.76 | 1 |
| H31 | B3OMe | 3.85 | 1 |
| H32 | B3OMe | 3.85 | 1 |
| H33 | B3OMe | 3.85 | 1 |
| H28 | A3OMe | 3.85 | 1 |
| H29 | A3OMe | 3.85 | 1 |
| H30 | A3OMe | 3.85 | 1 |
| H45 | AB | 4.05 | 1 |
| H38 | BG | 4.20 | 1 |
| H39 | BG | 4.20 | 1 |
| H46 | AA | 4.96 | 1 |
| H35 | BA | 6.26 | 1 |
| H34 | BB | 6.47 | 1 |
| H41 | B6 | 6.68 | 1 |
| H37 | A5 | 6.87 | 1 |
| H36 | A6 | 6.95 | 1 |
| H42 | A2 | 7.10 | 1 |