Lignin_cw_compound_2049 (C24 H22 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 454.42608
This is of the category: Trimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | C3OMe | 56.07 | 1 |
| C2 | A3OMe | 56.75 | 1 |
| C3 | B3OMe | 56.89 | 1 |
| C11 | CA | 64.25 | 1 |
| C9 | B2 | 108.03 | 1 |
| C7 | A2 | 108.40 | 1 |
| C10 | B6 | 109.92 | 1 |
| C8 | A6 | 110.17 | 1 |
| C6 | C2 | 112.36 | 1 |
| C4 | C6 | 119.76 | 1 |
| C5 | C5 | 122.66 | 1 |
| C15 | A1 | 128.73 | 1 |
| C16 | B1 | 134.75 | 1 |
| C24 | B4 | 138.25 | 1 |
| C14 | C1 | 142.09 | 1 |
| C17 | C4 | 142.49 | 1 |
| C23 | A4 | 143.04 | 1 |
| C20 | A5 | 147.16 | 1 |
| C19 | A3 | 149.70 | 1 |
| C18 | C3 | 152.34 | 1 |
| C22 | B5 | 153.71 | 1 |
| C21 | B3 | 155.04 | 1 |
| C12 | A | 191.02 | 1 |
| C12 | BA | 191.69 | 1 |
| H34 | C3OMe | 3.72 | 1 |
| H35 | C3OMe | 3.72 | 1 |
| H36 | C3OMe | 3.72 | 1 |
| H40 | B3OMe | 3.90 | 1 |
| H41 | B3OMe | 3.90 | 1 |
| H42 | B3OMe | 3.90 | 1 |
| H37 | A3OMe | 3.94 | 1 |
| H38 | A3OMe | 3.94 | 1 |
| H39 | A3OMe | 3.94 | 1 |
| H50 | CA | 4.62 | 1 |
| H51 | CA | 4.62 | 1 |
| H49 | B6 | 6.88 | 1 |
| H43 | C6 | 6.94 | 1 |
| H44 | C5 | 7.00 | 1 |
| H47 | A6 | 7.01 | 1 |
| H45 | C2 | 7.14 | 1 |
| H46 | A2 | 7.26 | 1 |
| H48 | B2 | 7.40 | 1 |
| H12 | A | 9.74 | 1 |
| H13 | BA | 9.86 | 1 |