Lignin_cw_compound_3037 (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 | 20.17 | 1 |
| C2 | B3OMe | 56.14 | 1 |
| C3 | A3OMe | 56.29 | 1 |
| C4 | A5OMe | 56.29 | 1 |
| C10 | A2 | 108.10 | 1 |
| C11 | A6 | 108.10 | 1 |
| C7 | B2 | 113.48 | 1 |
| C8 | B5 | 115.07 | 1 |
| C6 | B6 | 121.37 | 1 |
| C5 | B1 | 123.68 | 1 |
| C14 | A1 | 131.35 | 1 |
| C18 | A4 | 131.53 | 1 |
| C19 | A | 136.12 | 1 |
| C17 | B4 | 145.97 | 1 |
| C15 | b | 149.81 | 1 |
| C16 | B3 | 149.84 | 1 |
| C18 | A3 | 153.20 | 1 |
| C19 | A5 | 153.20 | 1 |
| C13 | AcC=O | 168.30 | 1 |
| C12 | G | 188.26 | 1 |
| H28 | AcMe | 2.21 | 1 |
| H29 | AcMe | 2.21 | 1 |
| H30 | AcMe | 2.21 | 1 |
| H34 | A3OMe | 3.73 | 1 |
| H36 | A3OMe | 3.73 | 1 |
| H35 | A3OMe | 3.73 | 1 |
| H37 | A5OMe | 3.73 | 1 |
| H38 | A5OMe | 3.73 | 1 |
| H39 | A5OMe | 3.73 | 1 |
| H32 | B3OMe | 3.88 | 1 |
| H31 | B3OMe | 3.88 | 1 |
| H33 | B3OMe | 3.88 | 1 |
| H43 | B5 | 6.76 | 1 |
| H41 | B6 | 6.77 | 1 |
| H40 | B1 | 6.97 | 1 |
| H42 | B2 | 7.06 | 1 |
| H45 | A2 | 7.29 | 1 |
| H46 | A6 | 7.29 | 1 |
| H44 | A | 7.31 | 1 |
| H47 | G | 9.57 | 1 |