Lignin_cw_compound_31 (C19 H24 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 348.39026
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.03 | 1 |
| C2 | OMe | 55.88 | 1 |
| C3 | OMe | 55.88 | 1 |
| C11 | G | 61.06 | 1 |
| C12 | BA | 69.74 | 1 |
| C19 | A | 73.47 | 1 |
| C18 | B | 82.92 | 1 |
| C10 | A2 | 110.00 | 1 |
| C9 | A5 | 111.00 | 1 |
| C7 | B3 | 116.35 | 1 |
| C8 | B5 | 116.35 | 1 |
| C6 | A6 | 119.26 | 1 |
| C4 | B2 | 126.84 | 1 |
| C5 | B6 | 126.84 | 1 |
| C14 | A1 | 132.46 | 1 |
| C13 | B1 | 139.26 | 1 |
| C17 | A3 | 148.81 | 1 |
| C16 | A4 | 148.98 | 1 |
| C15 | B4 | 157.45 | 1 |
| C11 | G | 61.46 | 1 |
| C19 | A | 73.88 | 1 |
| C18 | B | 82.00 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.15 | 1 |
| C2 | OMe | 55.99 | 4 |
| C3 | OMe | 56.04 | 4 |
| C11 | G | 61.60 | 1 |
| C12 | BA | 69.48 | 1 |
| C19 | A | 73.18 | 1 |
| C18 | B | 84.04 | 1 |
| C10 | A2 | 111.73 | 1 |
| C9 | A5 | 112.18 | 1 |
| C7 | B3 | 116.61 | 1 |
| C8 | B5 | 116.61 | 1 |
| C6 | A6 | 119.84 | 1 |
| C4 | B2 | 127.14 | 1 |
| C5 | B6 | 127.14 | 1 |
| C14 | A1 | 135.41 | 1 |
| C13 | B1 | 140.44 | 1 |
| C17 | A3 | 149.53 | 1 |
| C16 | A4 | 149.91 | 1 |
| C15 | B4 | 158.87 | 1 |
| C11 | G | 61.94 | 1 |
| C19 | A | 73.81 | 1 |
| C18 | B | 83.67 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.81 | 1 |
| C2 | OMe | 55.30 | 4 |
| C3 | OMe | 55.40 | 4 |
| C11 | G | 59.92 | 1 |
| C12 | BA | 67.57 | 1 |
| C19 | A | 70.77 | 1 |
| C18 | B | 82.98 | 1 |
| C10 | A2 | 110.57 | 1 |
| C9 | A5 | 111.17 | 1 |
| C7 | B3 | 115.34 | 1 |
| C8 | B5 | 115.34 | 1 |
| C6 | A6 | 118.62 | 1 |
| C4 | B2 | 126.15 | 1 |
| C5 | B6 | 126.15 | 1 |
| C14 | A1 | 134.78 | 1 |
| C13 | B1 | 139.27 | 1 |
| C17 | A3 | 147.69 | 1 |
| C16 | A4 | 148.13 | 1 |
| C15 | B4 | 157.62 | 1 |
| H28 | BB | 1.28 | 1 |
| H26 | BB | 1.28 | 1 |
| H27 | BB | 1.28 | 1 |
| H31 | OMe | 3.71 | 1 |
| H30 | OMe | 3.71 | 1 |
| H29 | OMe | 3.71 | 1 |
| H34 | OMe | 3.71 | 1 |
| H33 | OMe | 3.71 | 1 |
| H32 | OMe | 3.71 | 1 |
| H46 | A | 5.36 | 1 |
| C11 | G | 59.92 | 1 |
| C19 | A | 71.37 | 1 |
| C18 | B | 82.98 | 1 |