Lignin_cw_compound_3041 (C21 H22 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 402.39458
This is of the category: 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 | AcMe | 20.22 | 1 |
| C2 | B3OMe | 56.35 | 1 |
| C3 | B5OMe | 56.35 | 1 |
| C4 | A3OMe | 56.56 | 1 |
| C5 | A5OMe | 56.56 | 1 |
| C7 | B2 | 106.37 | 1 |
| C8 | B6 | 106.37 | 1 |
| C10 | A2 | 108.07 | 1 |
| C11 | A6 | 108.07 | 1 |
| C6 | B1 | 124.51 | 1 |
| C9 | A | 126.81 | 1 |
| C21 | A4 | 130.47 | 1 |
| 14 | A1 | 132.69 | 1 |
| C20 | B4 | 134.76 | 1 |
| C15 | B | 152.09 | 1 |
| C16 | B3 | 152.35 | 1 |
| C17 | B5 | 152.35 | 1 |
| C28 | A3 | 153.01 | 1 |
| C29 | A5 | 153.01 | 1 |
| C13 | AcC=O | 168.43 | 1 |
| C12 | G | 186.95 | 1 |
| H30 | AcMe | 2.23 | 1 |
| H31 | AcMe | 2.23 | 1 |
| H32 | AcMe | 2.23 | 1 |
| H39 | A3OMe | 3.77 | 1 |
| H40 | A3OMe | 3.77 | 1 |
| H41 | A3OMe | 3.77 | 1 |
| H42 | A5OMe | 3.77 | 1 |
| H43 | A5OMe | 3.77 | 1 |
| H44 | A5OMe | 3.77 | 1 |
| H33 | B3OMe | 3.78 | 1 |
| H34 | B3OMe | 3.78 | 1 |
| H35 | B3OMe | 3.78 | 1 |
| H36 | B5OMe | 3.78 | 1 |
| H37 | B5OMe | 3.78 | 1 |
| H38 | B5OMe | 3.78 | 1 |
| H46 | B2 | 6.67 | 1 |
| H47 | B6 | 6.67 | 1 |
| H48 | A | 6.69 | 1 |
| H45 | B1 | 7.01 | 1 |
| H49 | A2 | 7.34 | 1 |
| H50 | A6 | 7.34 | 1 |
| H51 | G | 9.32 | 1 |