Lignin_cw_compound_2004 (C20 H22 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 358.38508
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 |
|---|---|---|---|
| C15 | B | 53.53 | 1 |
| C1 | AOMe | 55.99 | 1 |
| C2 | BOMe | 56.01 | 1 |
| C7 | BG | 63.83 | 1 |
| C11 | G | 64.00 | 1 |
| C19 | A | 88.24 | 1 |
| C10 | A2 | 108.75 | 1 |
| C9 | B2 | 110.54 | 1 |
| C6 | A5 | 114.33 | 1 |
| C8 | B6 | 114.78 | 1 |
| C5 | A6 | 119.43 | 1 |
| C3 | BB | 126.45 | 1 |
| C14 | B5 | 128.09 | 1 |
| C4 | BA | 131.33 | 1 |
| C12 | B1 | 130.87 | 1 |
| C13 | A1 | 132.87 | 1 |
| C18 | B3 | 144.47 | 1 |
| C16 | A4 | 145.74 | 1 |
| C17 | A3 | 146.68 | 1 |
| C20 | B4 | 148.38 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C15 | B | 54.73 | 1 |
| C1 | AOMe | 56.26 | 1 |
| C2 | BOMe | 56.38 | 1 |
| C7 | BG | 63.39 | 1 |
| C11 | G | 64.60 | 1 |
| C19 | A | 88.51 | 1 |
| C10 | A2 | 110.48 | 1 |
| C9 | B2 | 111.72 | 1 |
| C6 | A5 | 115.67 | 1 |
| C8 | B6 | 116.08 | 1 |
| C5 | A6 | 119.57 | 1 |
| C3 | BB | 128.33 | 1 |
| C14 | B5 | 130.40 | 1 |
| C4 | BA | 130.54 | 1 |
| C12 | B1 | 131.91 | 1 |
| C13 | A1 | 134.36 | 1 |
| C18 | B3 | 145.14 | 1 |
| C16 | A4 | 147.27 | 1 |
| C17 | A3 | 148.36 | 1 |
| C20 | B4 | 148.84 | 1 |
| H44 | B | 3.53 | 1 |
| H42 | G | 3.83 | 1 |
| H43 | G | 3.83 | 1 |
| H47 | GOH | 3.83 | 1 |
| H27 | A3OMe | 3.81 | 1 |
| H28 | A3OMe | 3.81 | 1 |
| H29 | A3OMe | 3.81 | 1 |
| H30 | B3OMe | 3.85 | 1 |
| H31 | B3OMe | 3.85 | 1 |
| H32 | B3OMe | 3.85 | 1 |
| H46 | BGOH | 4.16 | 1 |
| H37 | BG | 4.19 | 1 |
| H38 | BG | 4.19 | 1 |
| H45 | A | 5.56 | 1 |
| H33 | BB | 6.23 | 1 |
| H34 | BA | 6.52 | 1 |
| H36 | A5 | 6.80 | 1 |
| H35 | A6 | 6.87 | 1 |
| H40 | B2 | 6.94 | 1 |
| H39 | B6 | 6.97 | 1 |
| H41 | A2 | 7.03 | 1 |
| H48 | A4OH | 7.73 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C15 | B | 53.02 | 1 |
| C1 | AOMe | 55.68 | 1 |
| C2 | BOMe | 55.73 | 1 |
| C7 | BG | 61.70 | 1 |
| C11 | G | 62.98 | 1 |
| C19 | A | 87.26 | 1 |
| C10 | A2 | 110.37 | 1 |
| C9 | B2 | 110.37 | 1 |
| C6 | A5 | 115.00 | 1 |
| C8 | B6 | 115.37 | 1 |
| C5 | A6 | 118.58 | 1 |
| C3 | BB | 128.02 | 1 |
| C14 | B5 | 129.52 | 1 |
| C4 | BA | 129.04 | 1 |
| C12 | B1 | 130.56 | 1 |
| C13 | A1 | 132.39 | 1 |
| C18 | B3 | 143.72 | 1 |
| C16 | A4 | 146.42 | 1 |
| C17 | A3 | 147.13 | 1 |
| C20 | B4 | 147.60 | 1 |