Lignin_cw_compound_2019 (C24 H26 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 442.45844
This is of the category: b-5 Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 14.28 | 4 |
| C2 | CH3 | 14.28 | 4 |
| C3 | A3OMe | 55.24 | 1 |
| C4 | B3OMe | 56.12 | 1 |
| C5 | CH2 | 60.35 | 4 |
| C6 | CH2 | 61.09 | 4 |
| C14 | B2 | 108.68 | 1 |
| C13 | A2 | 111.57 | 1 |
| C9 | A5 | 114.29 | 1 |
| C10 | BB | 116.00 | 1 |
| C18 | B | 123.29 | 1 |
| C17 | B5 | 124.76 | 1 |
| C11 | B6 | 124.82 | 1 |
| C7 | A6 | 125.82 | 1 |
| C16 | B1 | 126.81 | 1 |
| C15 | A1 | 126.94 | 1 |
| C12 | A | 141.45 | 1 |
| C8 | BA | 144.30 | 1 |
| C20 | A3 | 145.86 | 1 |
| C23 | B4 | 146.05 | 1 |
| C19 | A4 | 147.11 | 1 |
| C21 | B3 | 147.31 | 1 |
| C22 | BG | 167.11 | 1 |
| C24 | G | 167.46 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 14.61 | 4 |
| C2 | CH3 | 14.62 | 4 |
| C3 | A3OMe | 55.51 | 1 |
| C4 | B3OMe | 56.58 | 1 |
| C5 | CH2 | 60.47 | 4 |
| C6 | CH2 | 61.05 | 4 |
| C14 | B2 | 110.25 | 1 |
| C13 | A2 | 113.28 | 1 |
| C9 | A5 | 115.63 | 1 |
| C10 | BB | 116.31 | 1 |
| C18 | B | 124.92 | 1 |
| C17 | B5 | 126.56 | 1 |
| C11 | B6 | 125.71 | 1 |
| C7 | A6 | 126.37 | 1 |
| C16 | B1 | 127.31 | 1 |
| C15 | A1 | 127.58 | 1 |
| C12 | A | 141.37 | 1 |
| C8 | BA | 145.25 | 1 |
| C20 | A3 | 147.87 | 1 |
| C23 | B4 | 148.03 | 1 |
| C19 | A4 | 148.99 | 1 |
| C21 | B3 | 149.10 | 1 |
| C22 | BG | 167.29 | 1 |
| C24 | G | 167.77 | 1 |
| H35 | CH3 | 1.21 | 4 |
| H34 | CH3 | 1.21 | 4 |
| H33 | CH3 | 1.21 | 4 |
| H36 | CH3 | 1.24 | 4 |
| H38 | CH3 | 1.24 | 4 |
| H37 | CH3 | 1.24 | 4 |
| H41 | A3OMe | 3.44 | 1 |
| H40 | A3OMe | 3.44 | 1 |
| H39 | A3OMe | 3.44 | 1 |
| H42 | B3OMe | 3.96 | 1 |
| H43 | B3OMe | 3.96 | 1 |
| H44 | B3OMe | 3.96 | 1 |
| H45 | CH2 | 4.16 | 4 |
| H46 | CH2 | 4.16 | 4 |
| H47 | CH2 | 4.17 | 4 |
| H48 | CH2 | 4.17 | 4 |
| H52 | BB | 6.38 | 1 |
| H55 | A2 | 6.696 | 1 |
| H51 | A5 | 6.702 | 1 |
| H49 | A6 | 6.83 | 1 |
| H53 | B6 | 7.00 | 1 |
| H56 | B2 | 7.38 | 1 |
| H50 | BA | 7.56 | 1 |
| H54 | AA | 7.76 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 14.14 | 4 |
| C2 | CH3 | 14.16 | 4 |
| C3 | A3OMe | 54.66 | 1 |
| C4 | B3OMe | 56.05 | 1 |
| C5 | CH2 | 59.62 | 4 |
| C6 | CH2 | 60.15 | 4 |
| C14 | B2 | 110.05 | 1 |
| C13 | A2 | 112.92 | 1 |
| C9 | A5 | 115.02 | 1 |
| C10 | BB | 115.17 | 1 |
| C18 | B | 123.97 | 1 |
| C17 | B5 | 125.09 | 1 |
| C11 | B6 | 124.61 | 1 |
| C7 | A6 | 125.16 | 1 |
| C16 | B1 | 125.56 | 1 |
| C15 | A1 | 125.66 | 1 |
| C12 | A | 140.11 | 1 |
| C8 | BA | 144.49 | 1 |
| C20 | A3 | 147.02 | 1 |
| C23 | B4 | 147.11 | 1 |
| C19 | A4 | 148.16 | 1 |
| C21 | B3 | 148.23 | 1 |
| C22 | BG | 166.44 | 1 |
| C24 | G | 166.83 | 1 |