Lignin_cw_compound_3002 (C22 H22 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 446.40408
This is of the category: b-b Dimers
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C16 | B | 49.06 | 1 |
| C15 | B | 49.06 | 1 |
| C3 | OMe | 56.77 | 1 |
| C4 | OMe | 56.77 | 1 |
| C1 | OMe | 56.77 | 1 |
| C2 | OMe | 56.77 | 1 |
| C20 | A | 83.39 | 1 |
| C19 | A | 83.39 | 1 |
| C7 | 2 | 104.31 | 1 |
| C5 | 2 | 104.31 | 1 |
| C8 | 6 | 104.31 | 1 |
| C6 | 6 | 104.31 | 1 |
| C18 | 4 | 129.87 | 1 |
| C17 | 4 | 129.87 | 1 |
| C10 | 1 | 137.51 | 1 |
| C9 | 1 | 137.51 | 1 |
| C13 | 3 | 149.04 | 1 |
| C11 | 3 | 149.04 | 1 |
| C14 | 5 | 149.04 | 1 |
| C12 | 5 | 149.04 | 1 |
| C22 | g | 176.05 | 1 |
| C21 | g | 176.05 | 1 |
| H40 | OMe | 3.83 | 1 |
| H39 | OMe | 3.83 | 1 |
| H41 | OMe | 3.83 | 1 |
| H44 | OMe | 3.83 | 1 |
| H42 | OMe | 3.83 | 1 |
| H43 | OMe | 3.83 | 1 |
| H33 | OMe | 3.83 | 1 |
| H35 | OMe | 3.83 | 1 |
| H34 | OMe | 3.83 | 1 |
| H37 | OMe | 3.83 | 1 |
| H38 | OMe | 3.83 | 1 |
| H36 | OMe | 3.83 | 1 |
| H50 | B | 4.11 | 1 |
| H49 | B | 4.11 | 1 |
| H52 | A | 5.95 | 1 |
| H51 | A | 5.95 | 1 |
| H47 | 2 | 6.73 | 1 |
| H45 | 2 | 6.73 | 1 |
| H48 | 6 | 6.73 | 1 |
| H46 | 6 | 6.73 | 1 |
| H54 | OH | 7.42 | 1 |
| H53 | OH | 7.42 | 1 |