Lignin_cw_compound_2034 (C21 H20 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 400.3787
This is of the category: b-b Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | BGOMe | 52.98 | 1 |
| C18 | BB | 53.49 | 1 |
| C2 | B3OMe | 55.97 | 1 |
| C1 | A3OMe | 55.97 | 1 |
| C19 | BA | 80.22 | 1 |
| C10 | B2 | 107.65 | 1 |
| C9 | A2 | 112.04 | 1 |
| C7 | B5 | 114.78 | 1 |
| C6 | A5 | 114.92 | 1 |
| C5 | B6 | 118.22 | 1 |
| C13 | B | 118.38 | 1 |
| C11 | A1 | 125.66 | 1 |
| C4 | A6 | 125.59 | 1 |
| C12 | B1 | 131.08 | 1 |
| C8 | A | 141.06 | 1 |
| C15 | B4 | 146.12 | 1 |
| C16 | A3 | 146.77 | 1 |
| C17 | B3 | 146.89 | 1 |
| C14 | A4 | 148.39 | 1 |
| C20 | G | 170.77 | 1 |
| C21 | BG | 171.23 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | BGOMe | 53.16 | 1 |
| C18 | BB | 53.78 | 1 |
| C2 | B3OMe | 56.23 | 1 |
| C1 | A3OMe | 56.26 | 1 |
| C19 | BA | 80.97 | 1 |
| C10 | B2 | 110.12 | 1 |
| C9 | A2 | 113.78 | 1 |
| C7 | B5 | 116.04 | 1 |
| C6 | A5 | 116.24 | 1 |
| C5 | B6 | 119.23 | 1 |
| C13 | B | 120.03 | 1 |
| C11 | A1 | 126.38 | 1 |
| C4 | A6 | 126.42 | 1 |
| C12 | B1 | 132.08 | 1 |
| C8 | A | 140.75 | 1 |
| C15 | B4 | 147.99 | 1 |
| C16 | A3 | 148.52 | 1 |
| C17 | B3 | 148.61 | 1 |
| C14 | A4 | 150.24 | 1 |
| C20 | G | 171.45 | 1 |
| C21 | BG | 171.56 | 1 |
| H38 | BGOMe | 3.73 | 1 |
| H37 | BGOMe | 3.73 | 1 |
| H36 | BGOMe | 3.73 | 1 |
| H34 | B3OMe | 3.81 | 1 |
| H33 | B3OMe | 3.81 | 1 |
| H35 | B3OMe | 3.81 | 1 |
| H30 | A3OMe | 3.88 | 1 |
| H31 | A3OMe | 3.88 | 1 |
| H32 | A3OMe | 3.88 | 1 |
| H46 | BB | 4.39 | 1 |
| H47 | BA | 5.72 | 1 |
| H42 | B5 | 6.82 | 1 |
| H40 | B6 | 6.82 | 1 |
| H41 | A5 | 6.9 | 1 |
| H45 | B2 | 6.97 | 1 |
| H39 | A6 | 7.17 | 1 |
| H44 | A2 | 7.28 | 1 |
| H43 | A | 7.62 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | BGOMe | 51.98 | 1 |
| C18 | BB | 52.75 | 1 |
| C2 | B3OMe | 55.46 | 1 |
| C1 | A3OMe | 55.62 | 1 |
| C19 | BA | 79.74 | 1 |
| C10 | B2 | 110.26 | 1 |
| C9 | A2 | 113.48 | 1 |
| C7 | B5 | 115.53 | 1 |
| C6 | A5 | 115.68 | 1 |
| C5 | B6 | 118.26 | 1 |
| C13 | B | 118.34 | 1 |
| C11 | A1 | 124.48 | 1 |
| C4 | A6 | 125.44 | 1 |
| C12 | B1 | 130.02 | 1 |
| C8 | A | 139.93 | 1 |
| C15 | B4 | 147.11 | 1 |
| C16 | A3 | 147.69 | 1 |
| C17 | B3 | 147.71 | 1 |
| C14 | A4 | 149.62 | 1 |
| C20 | G | 170.53 | 1 |
| C21 | BG | 170.70 | 1 |