Lignin_cw_compound_2039 (C16 H16 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 304.29464
This is of the category: 5-O-4 Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B3OMe | 55.94 | 1 |
| C2 | A3OMe | 56.47 | 1 |
| C8 | BA | 64.91 | 1 |
| C6 | A2 | 106.40 | 1 |
| C5 | B2 | 111.55 | 1 |
| C7 | A6 | 114.09 | 1 |
| C3 | B6 | 119.49 | 1 |
| C4 | B5 | 120.46 | 1 |
| C11 | A1 | 128.30 | 1 |
| C10 | B1 | 138.45 | 1 |
| C16 | A4 | 142.58 | 1 |
| C12 | B4 | 143.95 | 1 |
| C15 | A5 | 145.16 | 1 |
| C14 | A3 | 148.45 | 1 |
| C13 | B3 | 150.87 | 1 |
| C9 | A | 190.44 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B3OMe | 56.19 | 1 |
| C2 | A3OMe | 56.73 | 1 |
| C8 | BA | 64.34 | 1 |
| C6 | A2 | 107.98 | 1 |
| C5 | B2 | 112.52 | 1 |
| C7 | A6 | 112.62 | 1 |
| C3 | B6 | 119.78 | 1 |
| C4 | B5 | 121.17 | 1 |
| C11 | A1 | 129.00 | 1 |
| C10 | B1 | 140.84 | 1 |
| C16 | A4 | 143.92 | 1 |
| C12 | B4 | 144.30 | 1 |
| C15 | A5 | 146.98 | 1 |
| C14 | A3 | 149.86 | 1 |
| C13 | B3 | 152.00 | 1 |
| C9 | A | 190.91 | 1 |
| H24 | B3OMe | 3.79 | 1 |
| H23 | B3OMe | 3.79 | 1 |
| H25 | B3OMe | 3.79 | 1 |
| H28 | A3OMe | 3.95 | 1 |
| H26 | A3OMe | 3.95 | 1 |
| H27 | A3OMe | 3.95 | 1 |
| H34 | BA | 4.63 | 1 |
| H35 | BA | 4.63 | 1 |
| H33 | A6 | 6.91 | 1 |
| H30 | B5 | 6.955 | 1 |
| H29 | B6 | 6.955 | 1 |
| H31 | B2 | 7.16 | 1 |
| H32 | A2 | 7.27 | 1 |
| H36 | A | 9.71 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | B3OMe | 55.61 | 1 |
| C2 | A3OMe | 56.15 | 1 |
| C8 | BA | 62.59 | 1 |
| C6 | A2 | 107.74 | 1 |
| C5 | B2 | 111.09 | 1 |
| C7 | A6 | 111.54 | 1 |
| C3 | B6 | 118.81 | 1 |
| C4 | B5 | 119.98 | 1 |
| C11 | A1 | 127.04 | 1 |
| C10 | B1 | 139.77 | 1 |
| C16 | A4 | 142.63 | 1 |
| C12 | B4 | 143.03 | 1 |
| C15 | A5 | 145.90 | 1 |
| C14 | A3 | 148.93 | 1 |
| C13 | B3 | 150.45 | 1 |
| C9 | A | 190.97 | 1 |