Lignin_cw_compound_2038 (C16 H14 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 302.27876
This is of the category: 5-O-4 Dimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B3OMe | 56.07 | 1 |
| C2 | A3OMe | 56.56 | 1 |
| C6 | A2 | 106.80 | 1 |
| C5 | B2 | 110.85 | 1 |
| C7 | A6 | 116.92 | 1 |
| C4 | B5 | 117.31 | 1 |
| C3 | B6 | 125.55 | 1 |
| C11 | A1 | 128.69 | 1 |
| C10 | B1 | 132.76 | 1 |
| C15 | A5 | 142.55 | 1 |
| C16 | A4 | 143.30 | 1 |
| C14 | A3 | 148.60 | 1 |
| C13 | B3 | 150.61 | 1 |
| C12 | B4 | 151.08 | 1 |
| C9 | A | 190.05 | 1 |
| C8 | BA | 190.84 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B3OMe | 56.41 | 1 |
| C2 | A3OMe | 56.80 | 1 |
| C6 | A2 | 108.48 | 1 |
| C5 | B2 | 112.26 | 1 |
| C7 | A6 | 116.99 | 1 |
| C4 | B5 | 117.63 | 1 |
| C3 | B6 | 125.55 | 1 |
| C11 | A1 | 129.54 | 1 |
| C10 | B1 | 133.56 | 1 |
| C15 | A5 | 143.79 | 1 |
| C16 | A4 | 145.22 | 1 |
| C14 | A3 | 150.37 | 1 |
| C13 | B3 | 151.49 | 1 |
| C12 | B4 | 152.48 | 1 |
| C9 | A | 190.75 | 1 |
| C8 | BA | 191.43 | 1 |
| H24 | BOMe | 3.95 | 1 |
| H23 | BOMe | 3.95 | 1 |
| H25 | BOMe | 3.95 | 1 |
| H28 | AOMe | 3.98 | 1 |
| H26 | AOMe | 3.98 | 1 |
| H27 | AOMe | 3.98 | 1 |
| H30 | B5 | 6.94 | 1 |
| H33 | A6 | 7.22 | 1 |
| H32 | A2 | 7.40 | 1 |
| H29 | B6 | 7.48 | 1 |
| H31 | B2 | 7.58 | 1 |
| H35 | A | 9.80 | 1 |
| H34 | BA | 9.92 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B3OMe | 55.85 | 1 |
| C2 | A3OMe | 56.24 | 1 |
| C6 | A2 | 108.09 | 1 |
| C5 | B2 | 111.60 | 1 |
| C7 | A6 | 116.27 | 1 |
| C4 | B5 | 116.31 | 1 |
| C3 | B6 | 124.80 | 1 |
| C11 | A1 | 127.64 | 1 |
| C10 | B1 | 131.84 | 1 |
| C15 | A5 | 142.52 | 1 |
| C16 | A4 | 144.52 | 1 |
| C14 | A3 | 149.47 | 1 |
| C13 | B3 | 149.82 | 1 |
| C12 | B4 | 151.24 | 1 |
| C9 | A | 190.84 | 1 |
| C8 | BA | 191.57 | 1 |