Lignin_cw_compound_294 (C15 H20 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 296.3157
This is of the category: Monomers
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.01 | 1 |
| C3 | 4AcMe | 20.41 | 1 |
| C2 | AAcMe | 21.20 | 1 |
| C6 | B | 29.30 | 1 |
| C4 | OMe | 56.10 | 1 |
| C5 | OMe | 56.10 | 1 |
| C12 | A | 77.26 | 1 |
| C7 | 2 | 103.29 | 1 |
| C8 | 6 | 103.29 | 1 |
| C15 | 4 | 128.18 | 1 |
| C11 | 1 | 138.92 | 1 |
| C13 | 3 | 152.01 | 1 |
| C14 | 5 | 152.01 | 1 |
| C10 | 4AcC=O | 168.65 | 1 |
| C9 | AAcC=O | 170.25 | 1 |
| H23 | G | 0.91 | 1 |
| H22 | G | 0.91 | 1 |
| H24 | G | 0.91 | 1 |
| H37 | B | 1.85 | 1 |
| H38 | B | 1.85 | 1 |
| H26 | AcMe | 2.09 | 4 |
| H25 | AcMe | 2.09 | 4 |
| H27 | AcMe | 2.09 | 4 |
| H29 | AcMe | 2.33 | 4 |
| H28 | AcMe | 2.33 | 4 |
| H30 | AcMe | 2.33 | 4 |
| H33 | OMe | 3.82 | 1 |
| H32 | OMe | 3.82 | 1 |
| H31 | OMe | 3.82 | 1 |
| H34 | OMe | 3.82 | 1 |
| H36 | OMe | 3.82 | 1 |
| H35 | OMe | 3.82 | 1 |
| H41 | A | 5.62 | 1 |
| H39 | 2 | 6.58 | 1 |
| H40 | 6 | 6.58 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.29 | 1 |
| C3 | 4AcMe | 20.26 | 1 |
| C2 | AAcMe | 21.04 | 1 |
| C6 | B | 30.13 | 1 |
| C4 | OMe | 56.45 | 1 |
| C5 | OMe | 56.45 | 1 |
| C12 | A | 77.61 | 1 |
| C7 | 2 | 103.86 | 1 |
| C8 | 6 | 103.86 | 1 |
| C15 | 4 | 129.21 | 1 |
| C11 | 1 | 140.45 | 1 |
| C13 | 3 | 153.13 | 1 |
| C14 | 5 | 153.13 | 1 |
| C10 | 4AcC=O | 168.55 | 1 |
| C9 | AAcC=O | 170.39 | 1 |
| H23 | G | 0.88 | 1 |
| H22 | G | 0.88 | 1 |
| H24 | G | 0.88 | 1 |
| H37 | B | 1.83 | 1 |
| H38 | B | 1.83 | 1 |
| H26 | AAcMe | 2.05 | 4 |
| H25 | AAcMe | 2.05 | 4 |
| H27 | AAcMe | 2.05 | 4 |
| H29 | 4AcMe | 2.21 | 4 |
| H28 | 4AcMe | 2.21 | 4 |
| H30 | 4AcMe | 2.21 | 4 |
| H33 | OMe | 3.80 | 1 |
| H32 | OMe | 3.80 | 1 |
| H31 | OMe | 3.80 | 1 |
| H34 | OMe | 3.80 | 1 |
| H36 | OMe | 3.80 | 1 |
| H35 | OMe | 3.80 | 1 |
| H41 | A | 5.61 | 1 |
| H39 | 2 | 6.71 | 1 |
| H40 | 6 | 6.71 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 9.93 | 1 |
| C3 | 4AcMe | 20.14 | 1 |
| C2 | AAcMe | 20.90 | 1 |
| C6 | B | 28.96 | 1 |
| C4 | OMe | 55.98 | 1 |
| C5 | OMe | 55.98 | 1 |
| C12 | A | 76.49 | 1 |
| C7 | 2 | 102.85 | 1 |
| C8 | 6 | 102.85 | 1 |
| C15 | 4 | 127.27 | 1 |
| C11 | 1 | 139.33 | 1 |
| C13 | 3 | 151.60 | 1 |
| C14 | 5 | 151.60 | 1 |
| C10 | 4AcC=O | 168.14 | 1 |
| C9 | AAcC=O | 169.89 | 1 |
| H23 | G | 0.85 | 1 |
| H22 | G | 0.85 | 1 |
| H24 | G | 0.85 | 1 |
| H37 | B | 1.80 | 1 |
| H38 | B | 1.80 | 1 |
| H26 | AcMe | 2.07 | 4 |
| H25 | AcMe | 2.07 | 4 |
| H27 | AcMe | 2.07 | 4 |
| H29 | AcMe | 2.22 | 4 |
| H28 | AcMe | 2.22 | 4 |
| H30 | AcMe | 2.22 | 4 |
| H33 | OMe | 3.74 | 1 |
| H32 | OMe | 3.74 | 1 |
| H31 | OMe | 3.74 | 1 |
| H34 | OMe | 3.74 | 1 |
| H36 | OMe | 3.74 | 1 |
| H35 | OMe | 3.74 | 1 |
| H41 | A | 5.56 | 1 |
| H39 | 2 | 6.68 | 1 |
| H40 | 6 | 0.85 | 1 |