Lignin_cw_compound_2057 (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: 5-5 Dimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 14.31 | 1 |
| C2 | CH3 | 14.31 | 1 |
| C3 | OMe | 56.17 | 1 |
| C4 | OMe | 56.17 | 1 |
| C5 | CH2 | 60.34 | 1 |
| C6 | CH2 | 60.34 | 1 |
| C13 | 2 | 108.78 | 1 |
| C14 | 2 | 108.78 | 1 |
| C9 | B | 116.21 | 1 |
| C10 | B | 116.21 | 1 |
| C17 | 5 | 123.59 | 1 |
| C18 | 5 | 123.59 | 1 |
| C11 | 6 | 124.81 | 1 |
| C12 | 6 | 124.81 | 1 |
| C15 | 1 | 126.73 | 1 |
| C16 | 1 | 126.73 | 1 |
| C7 | A | 144.46 | 1 |
| C8 | A | 144.46 | 1 |
| C23 | 4 | 145.10 | 1 |
| C24 | 4 | 145.10 | 1 |
| C19 | 3 | 147.27 | 1 |
| C20 | 3 | 147.27 | 1 |
| C21 | G | 167.14 | 1 |
| C22 | G | 167.14 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 14.22 | 1 |
| C2 | CH3 | 14.22 | 1 |
| C3 | OMe | 56.03 | 1 |
| C4 | OMe | 56.03 | 1 |
| C5 | CH2 | 59.63 | 1 |
| C6 | CH2 | 59.63 | 1 |
| C13 | 2 | 109.47 | 1 |
| C14 | 2 | 109.47 | 1 |
| C9 | B | 114.70 | 1 |
| C10 | B | 114.70 | 1 |
| C17 | 5 | 125.20 | 1 |
| C18 | 5 | 125.20 | 1 |
| C11 | 6 | 125.35 | 1 |
| C12 | 6 | 125.35 | 1 |
| C15 | 1 | 124.58 | 1 |
| C16 | 1 | 124.58 | 1 |
| C7 | A | 144.98 | 1 |
| C8 | A | 144.98 | 1 |
| C23 | 4 | 146.84 | 1 |
| C24 | 4 | 146.84 | 1 |
| C19 | 3 | 147.94 | 1 |
| C20 | 3 | 147.94 | 1 |
| C21 | G | 166.59 | 1 |
| C22 | G | 166.59 | 1 |
| H33 | CH3 | 1.26 | 1 |
| H35 | CH3 | 1.26 | 1 |
| H34 | CH3 | 1.26 | 1 |
| H38 | CH3 | 1.26 | 1 |
| H36 | CH3 | 1.26 | 1 |
| H37 | CH3 | 1.26 | 1 |
| H45 | CH2 | 4.18 | 1 |
| H46 | CH2 | 4.18 | 1 |
| H47 | CH2 | 4.18 | 1 |
| H48 | CH2 | 4.18 | 1 |
| H39 | OMe | 3.97 | 1 |
| H40 | OMe | 3.97 | 1 |
| H41 | OMe | 3.97 | 1 |
| H44 | OMe | 3.97 | 1 |
| H43 | OMe | 3.97 | 1 |
| H42 | OMe | 3.97 | 1 |
| H51 | B | 6.43 | 1 |
| H52 | B | 6.43 | 1 |
| H53 | 6 | 7.20 | 1 |
| H54 | 6 | 7.20 | 1 |
| H55 | 2 | 7.36 | 1 |
| H56 | 2 | 7.36 | 1 |
| H49 | A | 7.62 | 1 |
| H50 | A | 7.62 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 14.64 | 1 |
| C2 | CH3 | 56.56 | 1 |
| C3 | OMe | 60.46 | 1 |
| C4 | OMe | 109.95 | 1 |
| C5 | CH2 | 116.23 | 1 |
| C6 | CH2 | 125.59 | 1 |
| C13 | 2 | 126.22 | 1 |
| C14 | 2 | 126.64 | 1 |
| C9 | B | 145.58 | 1 |
| C10 | B | 147.47 | 1 |
| C17 | 5 | 148.93 | 1 |
| C18 | 5 | 167.39 | 1 |
| C11 | 6 | 14.64 | 1 |
| C12 | 6 | 56.56 | 1 |
| C15 | 1 | 60.46 | 1 |
| C16 | 1 | 109.95 | 1 |
| C7 | A | 116.23 | 1 |
| C8 | A | 125.59 | 1 |
| C23 | 4 | 126.22 | 1 |
| C24 | 4 | 126.64 | 1 |
| C19 | 3 | 145.58 | 1 |
| C20 | 3 | 147.47 | 1 |
| C21 | G | 148.93 | 1 |
| C22 | G | 167.39 | 1 |