Lignin_cw_compound_3056 (C20 H22 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 374.38448
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 | CH3 | 14.19 | 1 |
| C2 | BOMe | 56.30 | 1 |
| C2 | AOMe | 56.37 | 1 |
| C4 | AOMe | 56.37 | 1 |
| C5 | CH2 | 61.58 | 1 |
| C10 | A2 | 109.09 | 1 |
| C11 | A6 | 109.09 | 1 |
| C8 | B2 | 113.72 | 1 |
| C9 | B5 | 114.15 | 1 |
| C7 | B6 | 121.49 | 1 |
| C6 | B1 | 123.24 | 1 |
| C13 | A1 | 124.12 | 1 |
| C12 | A | 127.99 | 1 |
| C18 | B | 138.78 | 1 |
| C19 | A4 | 138.94 | 1 |
| C15 | B4 | 146.94 | 1 |
| C16 | A3 | 148.50 | 1 |
| C17 | A5 | 148.50 | 1 |
| C14 | B3 | 149.87 | 1 |
| C20 | G | 164.06 | 1 |
| H28 | CH3 | 1.21 | 1 |
| H30 | CH3 | 1.21 | 1 |
| H29 | CH3 | 1.21 | 1 |
| H34 | AOMe | 3.73 | 1 |
| H36 | AOMe | 3.73 | 1 |
| H35 | AOMe | 3.73 | 1 |
| H39 | AOMe | 3.73 | 1 |
| H38 | AOMe | 3.73 | 1 |
| H37 | AOMe | 3.73 | 1 |
| H32 | BOMe | 3.90 | 1 |
| H31 | BOMe | 3.90 | 1 |
| H33 | BOMe | 3.90 | 1 |
| H40 | CH2 | 4.20 | 1 |
| H41 | CH2 | 4.20 | 1 |
| H45 | B5 | 6.72 | 1 |
| H43 | B6 | 6.79 | 1 |
| H42 | B1 | 6.94 | 1 |
| H44 | B2 | 7.06 | 1 |
| H46 | A2 | 7.16 | 1 |
| H47 | A6 | 7.16 | 1 |
| H48 | A | 7.33 | 1 |