Lignin_cw_compound_2043 (C22 H24 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 416.42116
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 13.86 | 1 |
| C2 | OMe | 55.72 | 4 |
| C3 | OMe | 55.78 | 4 |
| C4 | CH2 | 61.33 | 1 |
| C20 | A | 73.70 | 1 |
| C21 | B | 82.29 | 1 |
| C13 | A2 | 109.63 | 1 |
| C12 | B2 | 111.09 | 1 |
| C9 | A5 | 113.93 | 1 |
| C10 | B5 | 115.99 | 1 |
| C8 | A6 | 119.80 | 1 |
| C7 | B6 | 122.72 | 1 |
| C5 | BB | 127.15 | 1 |
| C14 | B1 | 128.79 | 1 |
| C15 | A1 | 130.89 | 1 |
| C18 | A3 | 145.48 | 1 |
| C16 | A4 | 146.36 | 1 |
| C19 | B3 | 149.72 | 1 |
| C17 | B4 | 150.11 | 1 |
| C6 | BA | 152.38 | 1 |
| C22 | G | 168.80 | 1 |
| C11 | BG | 193.53 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| H33 | CH3 | 1.16 | 1 |
| H31 | CH3 | 1.16 | 1 |
| H32 | CH3 | 1.16 | 1 |
| H34 | OMe | 3.85 | 4 |
| H36 | OMe | 3.85 | 4 |
| H35 | OMe | 3.85 | 4 |
| H38 | OMe | 3.86 | 4 |
| H37 | OMe | 3.86 | 4 |
| H39 | OMe | 3.86 | 4 |
| H40 | CH2 | 4.15 | 1 |
| H41 | CH2 | 4.15 | 1 |
| H52 | B | 4.81 | 1 |
| H51 | a | 5.16 | 1 |
| H42 | BB | 6.58 | 1 |
| H43 | BA | 7.37 | 1 |
| H48 | BG | 9.61 | 1 |
| H53 | ArOH | 6.07 | 1 |