Lignin_cw_compound_3069 (C20 H20 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 372.3686
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 |
|---|---|---|---|
| C1 | A3-OMe | 56.4 | 1 |
| C2 | B3-OMe | 56.5 | 1 |
| C11 | AG | 61.6 | 1 |
| C19 | AA | 77.0 | 1 |
| C18 | AB | 79.8 | 1 |
| C8 | B2 | 105.5 | 1 |
| C9 | B6 | 111.9 | 1 |
| C10 | A2 | 112.0 | 1 |
| C6 | A5 | 115.8 | 1 |
| C5 | A6 | 121.6 | 1 |
| C12 | B1 | 127.5 | 1 |
| C3 | BB | 128.0 | 1 |
| C13 | A1 | 128.9 | 1 |
| C4 | BA | 137.4 | 1 |
| C17 | B5 | 145.6 | 1 |
| C15 | A3 | 148.1 | 1 |
| C14 | A4 | 148.5 | 1 |
| C16 | B3 | 150.4 | 1 |
| C20 | B4 | 153.7 | 1 |
| C7 | BG | 193.8 | 1 |
| H42 | AG1 | 3.53 | 1 |
| H43 | AG2 | 3.82 | 1 |
| H28 | A3OMe | 3.86 | 1 |
| H29 | A3OMe | 3.86 | 1 |
| H30 | A3OMe | 3.86 | 1 |
| H31 | B3OMe | 3.91 | 1 |
| H32 | B3OMe | 3.91 | 1 |
| H33 | B3OMe | 3.91 | 1 |
| H44 | AB | 4.14 | 1 |
| H45 | AA | 5.01 | 1 |
| H34 | BB | 6.67 | 1 |
| H37 | A5 | 6.88 | 1 |
| H40 | B6 | 6.92 | 1 |
| H36 | A6 | 6.97 | 1 |
| H39 | B2 | 7.02 | 1 |
| H41 | A2 | 7.12 | 1 |
| H35 | BA | 7.53 | 1 |
| H47 | A4-OH | 7.59 | 1 |
| H38 | BG | 9.64 | 1 |