Lignin_cw_compound_265 (C14 H16 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 280.27324
This is of the category: Monomers
Concentration: Saturated (Source: Irwin A. Pearl)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 17.16 | 1 |
| C2 | BAcMe | 20.56 | 1 |
| C3 | 4AcMe | 20.66 | 1 |
| C4 | OMe | 56.02 | 1 |
| C8 | B | 71.23 | 1 |
| C7 | 2 | 112.09 | 1 |
| C5 | 6 | 121.55 | 1 |
| C6 | 5 | 122.97 | 1 |
| C11 | 1 | 133.03 | 1 |
| C12 | 4 | 144.22 | 1 |
| C13 | 3 | 151.66 | 1 |
| C10 | 4AcC=O | 168.31 | 1 |
| C9 | BAcC=O | 170.32 | 1 |
| C14 | A | 195.65 | 1 |
| H23 | G | 1.53 | 1 |
| H21 | G | 1.53 | 1 |
| H22 | G | 1.53 | 1 |
| H25 | BAcMe | 2.14 | 1 |
| H24 | BAcMe | 2.14 | 1 |
| H26 | BAcMe | 2.14 | 1 |
| H28 | 4AcMe | 2.33 | 1 |
| H27 | 4AcMe | 2.33 | 1 |
| H29 | 4AcMe | 2.33 | 1 |
| H30 | OMe | 3.89 | 1 |
| H31 | OMe | 3.89 | 1 |
| H32 | OMe | 3.89 | 1 |
| H36 | B | 3.93 | 1 |
| H34 | 5 | 7.14 | 1 |
| H33 | 6 | 7.55 | 1 |
| H35 | 2 | 7.59 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 17.41 | 1 |
| C2 | BAcMe | 20.47 | 1 |
| C3 | 4AcMe | 20.54 | 1 |
| C4 | OMe | 56.46 | 1 |
| C8 | B | 72.21 | 1 |
| C7 | 2 | 112.79 | 1 |
| C5 | 6 | 122.34 | 1 |
| C6 | 5 | 124.10 | 1 |
| C11 | 1 | 134.07 | 1 |
| C12 | 4 | 145.25 | 1 |
| C13 | 3 | 152.72 | 1 |
| C10 | 4AcC=O | 168.62 | 1 |
| C9 | BAcC=O | 170.54 | 1 |
| C14 | A | 196.21 | 1 |
| H23 | G | 1.48 | 1 |
| H21 | G | 1.48 | 1 |
| H22 | G | 1.48 | 1 |
| H25 | BAcMe | 2.06 | 1 |
| H24 | BAcMe | 2.06 | 1 |
| H26 | BAcMe | 2.06 | 1 |
| H28 | 4AcMe | 2.27 | 1 |
| H27 | 4AcMe | 2.27 | 1 |
| H29 | 4AcMe | 2.27 | 1 |
| H30 | OMe | 3.90 | 1 |
| H31 | OMe | 3.90 | 1 |
| H32 | OMe | 3.90 | 1 |
| H36 | B | 6.00 | 1 |
| H34 | 5 | 7.23 | 1 |
| H35 | 2 | 7.64 | 1 |
| H33 | 6 | 7.66 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 16.90 | 1 |
| C2 | BAcMe | 20.26 | 1 |
| C3 | 4AcMe | 20.26 | 1 |
| C4 | OMe | 55.94 | 1 |
| C8 | B | 71.26 | 1 |
| C7 | 2 | 111.85 | 1 |
| C5 | 6 | 121.56 | 1 |
| C6 | 5 | 123.32 | 1 |
| C11 | 1 | 132.46 | 1 |
| C12 | 4 | 143.69 | 1 |
| C13 | 3 | 151.23 | 1 |
| C10 | 4AcC=O | 168.02 | 1 |
| C9 | BAcC=O | 169.74 | 1 |
| C14 | A | 195.52 | 1 |