Lignin_cw_compound_3039 (C20 H20 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 372.3686
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 | 20.45 | 1 |
| C4 | A3OMe | 56.09 | 1 |
| C2 | B3OMe | 56.52 | 1 |
| C3 | B5OMe | 56.52 | 1 |
| C6 | B2 | 106.29 | 1 |
| C7 | B6 | 106.29 | 1 |
| C11 | A2 | 115.15 | 1 |
| C9 | A5 | 123.78 | 1 |
| C8 | A6 | 124.04 | 1 |
| C5 | B1 | 124.53 | 1 |
| C10 | A | 126.73 | 1 |
| C14 | A1 | 133.43 | 1 |
| C20 | B4 | 134.81 | 1 |
| C16 | A4 | 141.52 | 1 |
| C19 | A3 | 152.04 | 1 |
| C15 | B | 152.11 | 1 |
| C17 | B3 | 152.41 | 1 |
| C18 | B5 | 152.41 | 1 |
| C13 | AcC=O | 168.85 | 1 |
| C12 | G | 187.00 | 1 |
| H30 | AcMe | 2.24 | 1 |
| H28 | AcMe | 2.24 | 1 |
| H29 | AcMe | 2.24 | 1 |
| H31 | B3OMe | 3.75 | 1 |
| H33 | B3OMe | 3.75 | 1 |
| H32 | B3OMe | 3.75 | 1 |
| H35 | B5OMe | 3.75 | 1 |
| H34 | B5OMe | 3.75 | 1 |
| H36 | B5OMe | 3.75 | 1 |
| H39 | A3OMe | 3.80 | 1 |
| H38 | A3OMe | 3.80 | 1 |
| H37 | A3OMe | 3.80 | 1 |
| H41 | B2 | 6.67 | 1 |
| H42 | B6 | 6.67 | 1 |
| H45 | A | 6.71 | 1 |
| H40 | B1 | 7.01 | 1 |
| H44 | A5 | 7.11 | 1 |
| H43 | A6 | 7.54 | 1 |
| H46 | A2 | 7.68 | 1 |
| H47 | G | 9.32 | 1 |