Lignin_cw_compound_3035 (C19 H18 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 342.34262
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 | 20.41 | 1 |
| C3 | A3OMe | 55.97 | 1 |
| C2 | B3OMe | 56.20 | 1 |
| C6 | B2 | 113.62 | 1 |
| C11 | A2 | 114.66 | 1 |
| C7 | B5 | 115.56 | 1 |
| C5 | B6 | 121.39 | 1 |
| C4 | B1 | 123.83 | 1 |
| C9 | A5 | 124.06 | 1 |
| C8 | A6 | 124.53 | 1 |
| C14 | A1 | 132.33 | 1 |
| C10 | A | 135.40 | 1 |
| C18 | A4 | 142.47 | 1 |
| C17 | B4 | 146.01 | 1 |
| C15 | B | 149.94 | 1 |
| C16 | B3 | 150.01 | 1 |
| C19 | A3 | 152.27 | 1 |
| C13 | AcC=O | 168.73 | 1 |
| C12 | G | 188.21 | 1 |
| H28 | AcMe | 2.23 | 1 |
| H26 | AcMe | 2.23 | 1 |
| H27 | AcMe | 2.23 | 1 |
| H34 | A3OMe | 3.73 | 1 |
| H33 | A3OMe | 3.73 | 1 |
| H32 | A3OMe | 3.73 | 1 |
| H30 | B3OMe | 3.87 | 1 |
| H29 | B3OMe | 3.87 | 1 |
| H31 | B3OMe | 3.87 | 1 |
| H38 | B5 | 6.79 | 1 |
| H36 | B6 | 6.79 | 1 |
| H35 | B1 | 6.97 | 1 |
| H37 | B2 | 7.06 | 1 |
| H40 | A5 | 7.11 | 1 |
| H41 | A | 7.30 | 1 |
| H39 | A6 | 7.45 | 1 |
| H42 | A2 | 7.68 | 1 |
| H43 | G | 9.55 | 1 |