Lignin_cw_compound_2035 (C22 H22 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 414.40528
This is of the category: b-b Dimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C19 | A | 45.60 | 1 |
| C20 | B | 47.20 | 1 |
| C3 | BGOMe | 51.87 | 1 |
| C4 | AGOMe | 52.40 | 1 |
| C1 | A3OMe | 55.83 | 1 |
| C2 | B3OMe | 56.03 | 1 |
| C8 | A2 | 110.12 | 1 |
| C9 | B2 | 111.21 | 1 |
| C6 | A5 | 114.17 | 1 |
| C10 | B5 | 115.58 | 1 |
| C5 | A6 | 120.35 | 1 |
| C14 | BB | 122.37 | 1 |
| C12 | B1 | 123.85 | 1 |
| C13 | B6 | 131.19 | 1 |
| C11 | A1 | 134.28 | 1 |
| C7 | BA | 137.74 | 1 |
| C15 | A4 | 144.42 | 1 |
| C18 | B3 | 145.78 | 1 |
| C17 | A3 | 146.40 | 1 |
| C16 | B4 | 147.69 | 1 |
| C21 | BG | 167.10 | 1 |
| C22 | G | 172.93 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C19 | A | 46.33 | 1 |
| C20 | B | 48.09 | 1 |
| C3 | BGOMe | 51.87 | 1 |
| C4 | AGOMe | 52.34 | 1 |
| C1 | A3OMe | 56.21 | 1 |
| C2 | B3OMe | 56.38 | 1 |
| C8 | A2 | 112.03 | 1 |
| C9 | B2 | 113.27 | 1 |
| C6 | A5 | 115.59 | 1 |
| C10 | B5 | 116.85 | 1 |
| C5 | A6 | 120.83 | 1 |
| C14 | BB | 122.96 | 1 |
| C12 | B1 | 124.37 | 1 |
| C13 | B6 | 132.09 | 1 |
| C11 | A1 | 135.31 | 1 |
| C7 | BA | 138.45 | 1 |
| C15 | A4 | 146.29 | 1 |
| C18 | B3 | 147.63 | 1 |
| C17 | A3 | 148.20 | 1 |
| C16 | B4 | 149.68 | 1 |
| C21 | BG | 167.49 | 1 |
| C22 | G | 173.17 | 1 |
| H40 | AGOMe | 3.56 | 1 |
| H41 | AGOMe | 3.56 | 1 |
| H42 | AGOMe | 3.56 | 1 |
| H37 | BGOMe | 3.68 | 1 |
| H39 | BGOMe | 3.68 | 1 |
| H38 | BGOMe | 3.68 | 1 |
| H31 | A3OMe | 3.75 | 1 |
| H32 | A3OMe | 3.75 | 1 |
| H33 | A3OMe | 3.75 | 1 |
| H36 | B3OMe | 3.88 | 1 |
| H35 | B3OMe | 3.88 | 1 |
| H34 | B3OMe | 3.88 | 1 |
| H50 | B | 3.94 | 1 |
| H49 | A | 4.53 | 1 |
| H43 | A6 | 6.39 | 1 |
| H44 | A5 | 6.65 | 1 |
| H48 | B5 | 6.66 | 1 |
| H46 | A2 | 6.76 | 1 |
| H47 | B2 | 7.10 | 1 |
| H45 | BA | 7.65 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C19 | A | 44.69 | 1 |
| C20 | B | 46.74 | 1 |
| C3 | BGOMe | 51.67 | 1 |
| C4 | AGOMe | 52.11 | 1 |
| C1 | A3OMe | 55.62 | 1 |
| C2 | B3OMe | 55.74 | 1 |
| C8 | A2 | 111.65 | 1 |
| C9 | B2 | 113.25 | 1 |
| C6 | A5 | 115.24 | 1 |
| C10 | B5 | 116.06 | 1 |
| C5 | A6 | 119.48 | 1 |
| C14 | BB | 120.89 | 1 |
| C12 | B1 | 122.47 | 1 |
| C13 | B6 | 130.74 | 1 |
| C11 | A1 | 133.56 | 1 |
| C7 | BA | 137.92 | 1 |
| C15 | A4 | 145.31 | 1 |
| C18 | B3 | 146.72 | 1 |
| C17 | A3 | 147.39 | 1 |
| C16 | B4 | 148.88 | 1 |
| C21 | BG | 166.52 | 1 |
| C22 | G | 172.31 | 1 |