Lignin_cw_compound_134 (C20 H26 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 394.41564
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.27 | 1 |
| C2 | AOMe | 56.23 | 1 |
| C3 | BOMe | 56.54 | 1 |
| C4 | BOMe | 56.54 | 1 |
| C10 | G | 61.35 | 1 |
| C11 | BA | 70.01 | 1 |
| C19 | A | 74.10 | 1 |
| C18 | B | 89.82 | 1 |
| C8 | B2 | 103.48 | 1 |
| C9 | B6 | 103.48 | 1 |
| C7 | A2 | 111.51 | 1 |
| C6 | A5 | 115.24 | 1 |
| C5 | A6 | 120.75 | 1 |
| C12 | A1 | 133.67 | 1 |
| C13 | B1 | 135.57 | 1 |
| C20 | B4 | 144.64 | 1 |
| C14 | A4 | 146.79 | 1 |
| C15 | A3 | 147.95 | 1 |
| C16 | B3 | 153.64 | 1 |
| C17 | B5 | 153.64 | 1 |
| H29 | BB | 1.47 | 1 |
| H30 | BB | 1.47 | 1 |
| H31 | BB | 1.47 | 1 |
| H33 | AOMe | 3.86 | 1 |
| H34 | AOMe | 3.86 | 1 |
| H32 | AOMe | 3.86 | 1 |
| H35 | BOMe | 3.89 | 1 |
| H36 | BOMe | 3.89 | 1 |
| H37 | BOMe | 3.89 | 1 |
| H40 | BOMe | 3.89 | 1 |
| H38 | BOMe | 3.89 | 1 |
| H39 | BOMe | 3.89 | 1 |
| H48 | BA | 4.83 | 1 |
| H50 | A | 5.00 | 1 |
| H44 | B2 | 6.63 | 1 |
| H45 | B6 | 6.63 | 1 |
| H43 | A2 | 6.95 | 1 |
| H42 | A5 | 6.85 | 1 |
| H41 | A6 | 6.91 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.39 | 1 |
| C2 | AOMe | 55.96 | 1 |
| C3 | BOMe | 56.14 | 1 |
| C4 | BOMe | 56.14 | 1 |
| C10 | G | 60.55 | 1 |
| C11 | BA | 70.29 | 1 |
| C19 | A | 74.10 | 1 |
| C18 | B | 89.00 | 1 |
| C8 | B2 | 102.32 | 1 |
| C9 | B6 | 102.32 | 1 |
| C7 | A2 | 109.90 | 1 |
| C6 | A5 | 114.36 | 1 |
| C5 | A6 | 120.34 | 1 |
| C12 | A1 | 131.89 | 1 |
| C13 | B1 | 134.26 | 1 |
| C20 | B4 | 142.80 | 1 |
| C14 | A4 | 145.44 | 1 |
| C15 | A3 | 146.56 | 1 |
| C16 | B3 | 152.91 | 1 |
| C17 | B5 | 152.91 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.81 | 1 |
| C2 | AOMe | 55.46 | 1 |
| C3 | BOMe | 55.80 | 1 |
| C4 | BOMe | 55.80 | 1 |
| C10 | G | 60.09 | 1 |
| C11 | BA | 68.07 | 1 |
| C19 | A | 71.48 | 1 |
| C18 | B | 87.20 | 1 |
| C8 | B2 | 102.53 | 1 |
| C9 | B6 | 102.53 | 1 |
| C7 | A2 | 110.97 | 1 |
| C6 | A5 | 114.56 | 1 |
| C5 | A6 | 119.14 | 1 |
| C12 | A1 | 132.82 | 1 |
| C13 | B1 | 134.56 | 1 |
| C20 | B4 | 142.88 | 1 |
| C14 | A4 | 145.23 | 1 |
| C15 | A3 | 146.77 | 1 |
| C16 | B3 | 152.13 | 1 |
| C17 | B5 | 152.13 | 1 |