Lignin_cw_compound_3052 (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 | 14.35 | 1 |
| C4 | AOMe | 56.09 | 1 |
| C2 | BOMe | 56.79 | 1 |
| C3 | BOMe | 56.79 | 1 |
| C5 | CH2 | 61.05 | 1 |
| C7 | B2 | 107.08 | 1 |
| C8 | B6 | 107.08 | 1 |
| C11 | A2 | 114.38 | 1 |
| C10 | A5 | 115.74 | 1 |
| C12 | A | 119.07 | 1 |
| C6 | B1 | 123.37 | 1 |
| C9 | A6 | 125.09 | 1 |
| C13 | A1 | 126.76 | 1 |
| C19 | B4 | 136.27 | 1 |
| C18 | B | 143.08 | 1 |
| C17 | A3 | 148.01 | 1 |
| C14 | A4 | 148.10 | 1 |
| C15 | B3 | 152.01 | 1 |
| C16 | B5 | 152.01 | 1 |
| C20 | G | 163.74 | 1 |
| H28 | CH3 | 1.11 | 1 |
| H30 | CH3 | 1.11 | 1 |
| H29 | CH3 | 1.11 | 1 |
| H31 | BOMe | 3.74 | 1 |
| H33 | BOMe | 3.74 | 1 |
| H32 | BOMe | 3.74 | 1 |
| H35 | BOMe | 3.74 | 1 |
| H34 | BOMe | 3.74 | 1 |
| H36 | BOMe | 3.74 | 1 |
| H37 | AOMe | 3.76 | 1 |
| H38 | AOMe | 3.76 | 1 |
| H39 | AOMe | 3.76 | 1 |
| H40 | CH2 | 4.06 | 1 |
| H41 | CH2 | 4.06 | 1 |
| H43 | B2 | 6.67 | 1 |
| H44 | B6 | 6.67 | 1 |
| H48 | A | 6.79 | 1 |
| H46 | A5 | 6.82 | 1 |
| H42 | B1 | 6.94 | 1 |
| H45 | A6 | 7.29 | 1 |
| H47 | A2 | 7.52 | 1 |