Lignin_cw_compound_2037 (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: 5-O-4 Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 15.45 | 4 |
| C2 | CH3 | 21.28 | 4 |
| C3 | BOMe | 56.43 | 1 |
| C4 | AOMe | 56.66 | 1 |
| C5 | CH2 | 63.26 | 1 |
| C13 | CH | 104.47 | 1 |
| C9 | A2 | 108.94 | 1 |
| C8 | B2 | 112.46 | 1 |
| C10 | A6 | 114.45 | 1 |
| C7 | B5 | 119.32 | 1 |
| C6 | B6 | 125.46 | 1 |
| C14 | B1 | 133.26 | 1 |
| C15 | A1 | 134.22 | 1 |
| C20 | A4 | 143.42 | 1 |
| C18 | A3 | 150.68 | 1 |
| C17 | B3 | 151.42 | 1 |
| C16 | B4 | 151.95 | 1 |
| C19 | A5 | 155.59 | 1 |
| C12 | A | 191.23 | 1 |
| C11 | BA | 191.48 | 1 |
| H29 | CH3 | 1.08 | 4 |
| H28 | CH3 | 1.08 | 4 |
| H30 | CH3 | 1.08 | 4 |
| H33 | CH3 | 1.38 | 4 |
| H31 | CH3 | 1.38 | 4 |
| H32 | CH3 | 1.38 | 4 |
| H40 | CH2 | 3.725 | 1 |
| H41 | CH2 | 3.725 | 1 |
| H36 | OMe | 3.95 | 4 |
| H35 | OMe | 3.95 | 4 |
| H34 | OMe | 3.95 | 4 |
| H38 | OMe | 3.99 | 4 |
| H37 | OMe | 3.99 | 4 |
| H39 | OMe | 3.99 | 4 |
| H49 | CH | 5.53 | 1 |
| H43 | B5 | 7.04 | 1 |
| H46 | A6 | 7.11 | 1 |
| H45 | A2 | 7.42 | 1 |
| H42 | B6 | 7.53 | 1 |
| H44 | B2 | 7.62 | 1 |
| H48 | A | 9.85 | 1 |
| H47 | BA | 9.95 | 1 |