Lignin_cw_compound_147 (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 | OMe | 55.93 | 4 |
| C2 | OMe | 55.93 | 4 |
| C3 | OMe | 56.01 | 4 |
| C13 | A | 72.17 | 1 |
| C11 | B | 76.53 | 1 |
| C10 | A2 | 109.67 | 1 |
| C9 | A5 | 111.28 | 1 |
| C6 | B2 | 112.21 | 1 |
| C7 | B5 | 116.28 | 1 |
| C8 | A6 | 118.67 | 1 |
| C5 | B6 | 121.15 | 1 |
| C4 | B1 | 122.61 | 1 |
| C12 | A1 | 132.36 | 1 |
| C14 | B3 | 148.14 | 1 |
| C15 | A3 | 148.89 | 1 |
| C17 | A4 | 149.23 | 1 |
| C16 | B4 | 150.30 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.13 | 4 |
| C2 | OMe | 56.26 | 4 |
| C3 | OMe | 56.36 | 4 |
| C13 | A | 72.59 | 1 |
| C11 | B | 76.22 | 1 |
| C10 | A2 | 111.63 | 1 |
| C9 | A5 | 112.77 | 1 |
| C6 | B2 | 113.67 | 1 |
| C7 | B5 | 115.82 | 1 |
| C8 | A6 | 119.44 | 1 |
| C5 | B6 | 121.86 | 1 |
| C4 | B1 | 122.43 | 1 |
| C12 | A1 | 135.50 | 1 |
| C14 | B3 | 149.71 | 1 |
| C15 | A3 | 149.71 | 1 |
| C17 | A4 | 149.84 | 1 |
| C16 | B4 | 150.30 | 1 |
| H24 | OMe | 3.78 | 4 |
| H23 | OMe | 3.78 | 4 |
| H25 | OMe | 3.78 | 4 |
| H26 | OMe | 3.82 | 4 |
| H27 | OMe | 3.82 | 4 |
| H28 | OMe | 3.82 | 4 |
| H29 | OMe | 3.82 | 4 |
| H30 | OMe | 3.82 | 4 |
| H31 | OMe | 3.82 | 4 |
| H39 | B1 | 4.0 | 1 |
| H40 | B2 | 4.07 | 1 |
| H41 | A | 4.98 | 1 |
| H38 | A2 | 7.14 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.38 | 4 |
| C2 | OMe | 55.57 | 4 |
| C3 | OMe | 55.57 | 4 |
| C13 | A | 70.68 | 1 |
| C11 | B | 74.07 | 1 |
| C10 | A2 | 110.48 | 1 |
| C9 | A5 | 111.56 | 1 |
| C6 | B2 | 112.55 | 1 |
| C7 | B5 | 113.79 | 1 |
| C8 | A6 | 118.32 | 1 |
| C5 | B6 | 120.73 | 1 |
| C4 | B1 | 120.94 | 1 |
| C12 | A1 | 135.11 | 1 |
| C14 | B3 | 147.99 | 1 |
| C15 | A3 | 148.20 | 1 |
| C17 | A4 | 148.46 | 1 |
| C16 | B4 | 149.11 | 1 |