Lignin_cw_compound_2025 (C42 H48 O12)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 744.82332
This is of the category: Tetramers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C41 | DB | 55.15 | 1 |
| C42 | CB | 55.15 | 1 |
| C4 | D3OMe | 56.22 | 1 |
| C3 | A3OMe | 56.25 | 1 |
| C5 | B3OMe | 56.25 | 1 |
| C6 | C3OMe | 56.44 | 1 |
| C22 | G | 61.82 | 1 |
| C17 | BG | 63.27 | 1 |
| C23 | DG | 72.23 | 1 |
| C24 | CG | 72.23 | 1 |
| C38 | A | 81.21 | 1 |
| C37 | B | 85.38 | 1 |
| C40 | CA | 86.37 | 1 |
| C39 | DA | 86.58 | 1 |
| C20 | D2 | 110.59 | 1 |
| C18 | B2 | 111.05 | 1 |
| C21 | C2 | 111.43 | 1 |
| C19 | A2 | 112.21 | 1 |
| C13 | A5 | 115.28 | 1 |
| C14 | D5 | 115.50 | 1 |
| C16 | C5 | 116.83 | 1 |
| C12 | C6 | 118.96 | 1 |
| C15 | B5 | 119.06 | 1 |
| C11 | D6 | 119.61 | 1 |
| C12 | B6 | 120.17 | 1 |
| C10 | A6 | 121.53 | 1 |
| C7 | BB | 129.50 | 1 |
| C8 | BA | 129.88 | 1 |
| C26 | A1 | 130.53 | 1 |
| C25 | B1 | 132.78 | 1 |
| C27 | D1 | 134.10 | 1 |
| C28 | C1 | 136.29 | 1 |
| C30 | D4 | 146.85 | 1 |
| C29 | A4 | 147.24 | 1 |
| C32 | C4 | 147.61 | 1 |
| C33 | A3 | 148.15 | 1 |
| C34 | D3 | 148.30 | 1 |
| C36 | C3 | 151.12 | 1 |
| C35 | B3 | 151.75 | 1 |
| H96 | AA | 5.45 | 1 |
| H95 | AB | 4.55 | 1 |
| H89 | AG1 | 3.82 | 1 |
| H90 | AG2 | 3.92 | 1 |
| H98 | CA | 4.63 | 1 |
| HX | CB | 3.04 | 1 |
| H93 | CG1 | 3.77 | 1 |
| H94 | CG2 | 4.17 | 1 |