Lignin_cw_compound_3001 (C24 H26 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 442.45844
This is of the category: 5-O-4 Dimers
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | ACH3 | 14.60 | 1 |
| C1 | BCH3 | 14.60 | 1 |
| C3 | B3OMe | 56.41 | 1 |
| C4 | A3OMe | 56.77 | 1 |
| C6 | ACH2 | 60.53 | 1 |
| C5 | BCH2 | 60.64 | 1 |
| C14 | A2 | 107.99 | 1 |
| C13 | B2 | 112.66 | 1 |
| C15 | A6 | 114.45 | 1 |
| C12 | AB | 116.99 | 1 |
| C11 | BB | 117.93 | 1 |
| C10 | B5 | 118.36 | 1 |
| C7 | B6 | 122.84 | 1 |
| C17 | A1 | 126.67 | 1 |
| C16 | B1 | 131.04 | 1 |
| C24 | A4 | 141.41 | 1 |
| C21 | A5 | 144.45 | 1 |
| C8 | BA | 144.81 | 1 |
| C9 | AA | 144.94 | 1 |
| C18 | B4 | 149.35 | 1 |
| C20 | A3 | 150.12 | 1 |
| C19 | B3 | 151.41 | 1 |
| C22 | BG | 167.15 | 1 |
| C23 | AG | 167.16 | 1 |
| H38 | ACH3 | 1.24 | 1 |
| H37 | ACH3 | 1.24 | 1 |
| H36 | ACH3 | 1.24 | 1 |
| H35 | BCH3 | 1.27 | 1 |
| H33 | BCH3 | 1.27 | 1 |
| H34 | BCH3 | 1.27 | 1 |
| H40 | B3OMe | 3.93 | 1 |
| H39 | B3OMe | 3.93 | 1 |
| H41 | B3OMe | 3.93 | 1 |
| H44 | A3OMe | 3.96 | 1 |
| H42 | A3OMe | 3.96 | 1 |
| H43 | A3OMe | 3.96 | 1 |
| H47 | ACH2 | 4.16 | 1 |
| H48 | ACH2 | 4.16 | 1 |
| H45 | BCH2 | 4.19 | 1 |
| H46 | BCH2 | 4.19 | 1 |
| H54 | AB | 6.36 | 1 |
| H53 | BB | 6.48 | 1 |
| H52 | B5 | 6.81 | 1 |
| H57 | A6 | 6.89 | 1 |
| H49 | B6 | 7.17 | 1 |
| H56 | A2 | 7.22 | 1 |
| H55 | B2 | 7.46 | 1 |
| H51 | AA | 7.53 | 1 |
| H50 | BA | 7.62 | 1 |