Lignin_cw_compound_2027 (C20 H20 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 372.3686
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 |
|---|---|---|---|
| C12 | BB | 51.31 | 1 |
| C17 | B | 51.67 | 1 |
| C2 | A3OMe | 55.97 | 1 |
| C1 | B3OMe | 56.11 | 1 |
| C9 | BG | 71.63 | 1 |
| C19 | A | 84.00 | 1 |
| C18 | BA | 85.65 | 1 |
| C7 | B2 | 107.89 | 1 |
| C8 | A2 | 108.78 | 1 |
| C6 | A5 | 114.43 | 1 |
| C5 | B5 | 114.59 | 1 |
| C3 | B6 | 118.83 | 1 |
| C4 | A6 | 119.65 | 1 |
| C11 | A1 | 127.88 | 1 |
| C10 | B1 | 131.26 | 1 |
| C14 | A4 | 145.81 | 1 |
| C13 | B4 | 146.15 | 1 |
| C16 | A3 | 146.60 | 1 |
| C15 | B3 | 146.99 | 1 |
| C20 | G | 174.51 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C12 | BB | 52.02 | 1 |
| C17 | B | 52.43 | 1 |
| C2 | A3OMe | 56.28 | 1 |
| C1 | B3OMe | 56.35 | 1 |
| C9 | BG | 72.08 | 1 |
| C19 | A | 84.43 | 1 |
| C18 | BA | 86.32 | 1 |
| C7 | B2 | 110.68 | 1 |
| C8 | A2 | 111.21 | 1 |
| C6 | A5 | 115.39 | 1 |
| C5 | B5 | 115.80 | 1 |
| C3 | B6 | 120.06 | 1 |
| C4 | A6 | 120.32 | 1 |
| C11 | A1 | 129.78 | 1 |
| C10 | B1 | 132.60 | 1 |
| C14 | A4 | 147.15 | 1 |
| C13 | B4 | 147.82 | 1 |
| C16 | A3 | 147.99 | 1 |
| C15 | B3 | 148.62 | 1 |
| C20 | G | 174.93 | 1 |
| H43 | B | 3.63 | 1 |
| H42 | BB | 3.35 | 1 |
| H45 | A | 5.05 | 1 |
| H44 | BA | 5.23 | 1 |
| H40 | BGcis | 3.88 | 2 |
| H41 | BGtrans | 4.28 | 2 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C12 | BB | 50.42 | 1 |
| C17 | B | 51.54 | 1 |
| C2 | A3OMe | 55.81 | 1 |
| C1 | B3OMe | 55.91 | 1 |
| C9 | BG | 71.06 | 1 |
| C19 | A | 83.07 | 1 |
| C18 | BA | 85.45 | 1 |
| C7 | B2 | 110.88 | 1 |
| C8 | A2 | 110.96 | 1 |
| C6 | A5 | 115.28 | 1 |
| C5 | B5 | 115.54 | 1 |
| C3 | B6 | 119.27 | 1 |
| C4 | A6 | 119.48 | 1 |
| C11 | A1 | 128.41 | 1 |
| C10 | B1 | 130.80 | 1 |
| C14 | A4 | 146.24 | 1 |
| C13 | B4 | 147.03 | 1 |
| C16 | A3 | 147.35 | 1 |
| C15 | B3 | 147.96 | 1 |
| C20 | G | 174.99 | 1 |