Lignin_cw_compound_2041 (C23 H24 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 428.43186
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 | 14.14 | 1 |
| C4 | BGOMe | 51.65 | 1 |
| C2 | A3OMe | 55.59 | 1 |
| C3 | B3OMe | 56.21 | 1 |
| C5 | CH2 | 61.42 | 1 |
| C12 | B2 | 111.24 | 1 |
| C13 | A2 | 112.03 | 1 |
| C10 | B5 | 114.14 | 1 |
| C9 | A5 | 114.47 | 1 |
| C11 | BB | 116.32 | 1 |
| C7 | B6 | 122.12 | 1 |
| C16 | A1 | 124.74 | 1 |
| C6 | A6 | 125.54 | 1 |
| C14 | A | 127.80 | 1 |
| C15 | B1 | 129.31 | 1 |
| C21 | B | 137.73 | 1 |
| C8 | BA | 144.42 | 1 |
| C19 | A3 | 146.43 | 1 |
| C18 | B4 | 147.44 | 1 |
| C17 | A4 | 147.80 | 1 |
| C20 | B3 | 149.16 | 1 |
| C23 | G | 163.41 | 1 |
| C22 | BG | 167.50 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 14.47 | 1 |
| C4 | BGOMe | 51.58 | 1 |
| C2 | A3OMe | 55.92 | 1 |
| C3 | B3OMe | 56.49 | 1 |
| C5 | CH2 | 61.72 | 1 |
| C12 | B2 | 112.45 | 1 |
| C13 | A2 | 113.78 | 1 |
| C10 | B5 | 114.53 | 1 |
| C9 | A5 | 115.99 | 1 |
| C11 | BB | 117.10 | 1 |
| C7 | B6 | 122.92 | 1 |
| C16 | A1 | 125.19 | 1 |
| C6 | A6 | 126.03 | 1 |
| C14 | A | 128.05 | 1 |
| C15 | B1 | 130.09 | 1 |
| C21 | B | 138.39 | 1 |
| C8 | BA | 145.02 | 1 |
| C19 | A3 | 148.29 | 1 |
| C18 | B4 | 148.89 | 1 |
| C17 | A4 | 149.48 | 1 |
| C20 | B3 | 150.24 | 1 |
| C23 | G | 163.75 | 1 |
| C22 | BG | 167.63 | 1 |
| H32 | CH3 | 1.21 | 1 |
| H33 | CH3 | 1.21 | 1 |
| H34 | CH3 | 1.21 | 1 |
| H41 | BGOMe | 3.71 | 1 |
| H42 | BGOMe | 3.71 | 1 |
| H43 | BGOMe | 3.71 | 1 |
| H35 | A3OMe | 3.73 | 1 |
| H36 | A3OMe | 3.73 | 1 |
| H37 | A3OMe | 3.73 | 1 |
| H38 | B3OMe | 3.99 | 1 |
| H39 | B3OMe | 3.99 | 1 |
| H40 | B3OMe | 3.99 | 1 |
| H92 | CH2 | 4.17 | 1 |
| H44 | CH2 | 4.17 | 1 |
| H45 | BB | 6.45 | 1 |
| H50 | B5 | 6.79 | 1 |
| H49 | A5 | 6.81 | 1 |
| H47 | B6 | 7.12 | 1 |
| H46 | A6 | 7.22 | 1 |
| H54 | A | 7.37 | 1 |
| H52 | B2 | 7.44 | 1 |
| H53 | A2 | 7.49 | 1 |
| H48 | BA | 7.59 | 1 |
| H55 | ArOH | 8.12 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 14.05 | 1 |
| C4 | BGOMe | 51.32 | 1 |
| C2 | A3OMe | 55.11 | 1 |
| C3 | B3OMe | 55.93 | 1 |
| C5 | CH2 | 60.96 | 1 |
| C12 | B2 | 111.79 | 1 |
| C13 | A2 | 113.17 | 1 |
| C10 | B5 | 113.46 | 1 |
| C9 | A5 | 115.57 | 1 |
| C11 | BB | 116.29 | 1 |
| C7 | B6 | 122.27 | 1 |
| C16 | A1 | 123.18 | 1 |
| C6 | A6 | 124.79 | 1 |
| C14 | A | 127.43 | 1 |
| C15 | B1 | 128.78 | 1 |
| C21 | B | 136.44 | 1 |
| C8 | BA | 144.23 | 1 |
| C19 | A3 | 147.27 | 1 |
| C18 | B4 | 147.43 | 1 |
| C17 | A4 | 148.67 | 1 |
| C20 | B3 | 148.67 | 1 |
| C23 | G | 162.67 | 1 |
| C22 | BG | 166.80 | 1 |