Lignin_cw_compound_132 (C17 H20 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 304.3377
This is of the category: b-O-4 Dimers, 2-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.05 | 1 |
| C2 | OMe | 55.98 | 1 |
| C11 | BA | 69.91 | 1 |
| C16 | A | 72.43 | 1 |
| C10 | B | 73.58 | 1 |
| C9 | A2 | 108.82 | 1 |
| C6 | B3 | 114.64 | 1 |
| C7 | B5 | 114.64 | 1 |
| C8 | A5 | 114.37 | 1 |
| C5 | A6 | 119.33 | 1 |
| C3 | B2 | 126.73 | 1 |
| C4 | B6 | 126.73 | 1 |
| C13 | A1 | 131.66 | 1 |
| C12 | B1 | 138.66 | 1 |
| C15 | A4 | 145.57 | 1 |
| C17 | A3 | 146.70 | 1 |
| C14 | B4 | 157.81 | 1 |
| H23 | BB | 1.46 | 1 |
| H24 | BB | 1.46 | 1 |
| H25 | BB | 1.46 | 1 |
| H26 | OMe | 3.90 | 1 |
| H27 | OMe | 3.90 | 1 |
| H28 | OMe | 3.90 | 1 |
| H36 | B1 | 3.96 | 1 |
| H37 | B2 | 4.06 | 1 |
| H38 | BA | 4.84 | 1 |
| H39 | A | 5.03 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.20 | 1 |
| C2 | OMe | 56.27 | 1 |
| C11 | BA | 69.50 | 1 |
| C16 | A | 72.65 | 1 |
| C10 | B | 74.65 | 1 |
| C9 | A2 | 110.89 | 1 |
| C6 | B3 | 115.07 | 1 |
| C7 | B5 | 115.07 | 1 |
| C8 | A5 | 115.42 | 1 |
| C5 | A6 | 119.88 | 1 |
| C3 | B2 | 127.27 | 1 |
| C4 | B6 | 127.27 | 1 |
| C13 | A1 | 134.30 | 1 |
| C12 | B1 | 140.41 | 1 |
| C15 | A4 | 146.86 | 1 |
| C17 | A3 | 148.16 | 1 |
| C14 | B4 | 158.80 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.83 | 1 |
| C2 | OMe | 55.50 | 1 |
| C11 | BA | 67.52 | 1 |
| C16 | A | 70.68 | 1 |
| C10 | B | 73.22 | 1 |
| C9 | A2 | 110.55 | 1 |
| C6 | B3 | 113.95 | 1 |
| C7 | B5 | 113.95 | 1 |
| C8 | A5 | 114.88 | 1 |
| C5 | A6 | 118.63 | 1 |
| C3 | B2 | 126.28 | 1 |
| C4 | B6 | 126.28 | 1 |
| C13 | A1 | 133.30 | 1 |
| C12 | B1 | 139.30 | 1 |
| C15 | A4 | 145.60 | 1 |
| C17 | A3 | 147.17 | 1 |
| C14 | B4 | 157.19 | 1 |