Lignin_cw_compound_135 (C20 H26 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 378.41624
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 | 25.30 | 1 |
| C7 | A | 37.32 | 1 |
| C2 | AOMe | 55.94 | 1 |
| C3 | BOMe | 56.11 | 1 |
| C4 | BOMe | 56.11 | 1 |
| C11 | G | 62.31 | 1 |
| C12 | BA | 70.42 | 1 |
| C15 | B | 84.52 | 1 |
| C9 | B2 | 102.45 | 1 |
| C10 | B6 | 102.45 | 1 |
| C8 | A2 | 112.31 | 1 |
| C6 | A5 | 114.27 | 1 |
| C5 | A6 | 122.10 | 1 |
| C13 | A1 | 130.13 | 1 |
| C14 | B1 | 134.64 | 1 |
| C20 | B4 | 142.09 | 1 |
| C16 | A4 | 144.07 | 1 |
| C17 | A3 | 146.38 | 1 |
| C18 | B3 | 153.29 | 1 |
| C19 | B5 | 153.29 | 1 |
| H29 | BB | 1.47 | 1 |
| H28 | BB | 1.47 | 1 |
| H30 | BB | 1.47 | 1 |
| H42 | A1 | 2.97 | 1 |
| H43 | A2 | 3.20 | 1 |
| H34 | BOMe | 3.85 | 1 |
| H35 | BOMe | 3.85 | 1 |
| H36 | BOMe | 3.85 | 1 |
| H39 | BOMe | 3.85 | 1 |
| H37 | BOMe | 3.85 | 1 |
| H38 | BOMe | 3.85 | 1 |
| H31 | AOMe | 3.83 | 1 |
| H32 | AOMe | 3.83 | 1 |
| H33 | AOMe | 3.83 | 1 |
| H49 | BA | 4.82 | 1 |
| H50 | B | 4.18 | 1 |
| H45 | B2 | 6.61 | 1 |
| H46 | B6 | 6.61 | 1 |
| H40 | A6 | 6.74 | 1 |
| H44 | A2 | 6.80 | 1 |
| H41 | A5 | 6.82 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.26 | 1 |
| C7 | A | 38.03 | 1 |
| C2 | AOMe | 56.23 | 1 |
| C3 | BOMe | 56.44 | 1 |
| C4 | BOMe | 56.44 | 1 |
| C11 | G | 62.84 | 1 |
| C12 | BA | 70.04 | 1 |
| C15 | B | 85.30 | 1 |
| C9 | B2 | 103.53 | 1 |
| C10 | B6 | 103.53 | 1 |
| C8 | A2 | 113.93 | 1 |
| C6 | A5 | 115.51 | 1 |
| C5 | A6 | 122.80 | 1 |
| C13 | A1 | 130.80 | 1 |
| C14 | B1 | 135.57 | 1 |
| C20 | B4 | 144.15 | 1 |
| C16 | A4 | 145.80 | 1 |
| C17 | A3 | 148.04 | 1 |
| C18 | B3 | 154.08 | 1 |
| C19 | B5 | 154.08 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.81 | 1 |
| C7 | A | 36.77 | 1 |
| C2 | AOMe | 55.46 | 1 |
| C3 | BOMe | 55.74 | 1 |
| C4 | BOMe | 55.74 | 1 |
| C11 | G | 61.58 | 1 |
| C12 | BA | 68.13 | 1 |
| C15 | B | 83.40 | 1 |
| C9 | B2 | 102.50 | 1 |
| C10 | B6 | 102.50 | 1 |
| C8 | A2 | 113.55 | 1 |
| C6 | A5 | 115.01 | 1 |
| C5 | A6 | 121.57 | 1 |
| C13 | A1 | 129.24 | 1 |
| C14 | B1 | 133.95 | 1 |
| C20 | B4 | 142.83 | 1 |
| C16 | A4 | 144.55 | 1 |
| C17 | A3 | 147.03 | 1 |
| C18 | B3 | 152.61 | 1 |
| C19 | B5 | 152.61 | 1 |