Lignin_cw_compound_130 (C13 H16 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 268.26254
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 | 17.44 | 1 |
| C2 | AcMe | 20.78 | 1 |
| C3 | OMe | 56.57 | 1 |
| C4 | OMe | 56.57 | 1 |
| C7 | B | 70.94 | 1 |
| C5 | 2 | 106.12 | 1 |
| C6 | 6 | 106.12 | 1 |
| C9 | 1 | 125.83 | 1 |
| C13 | 4 | 140.42 | 1 |
| C10 | 3 | 147.02 | 1 |
| C11 | 5 | 147.02 | 1 |
| C8 | AcC=O | 170.45 | 1 |
| C12 | A | 195.11 | 1 |
| H20 | G | 1.53 | 1 |
| H22 | G | 1.53 | 1 |
| H21 | G | 1.53 | 1 |
| H25 | AcMe | 2.15 | 1 |
| H23 | AcMe | 2.15 | 1 |
| H24 | AcMe | 2.15 | 1 |
| H28 | OMe | 3.94 | 1 |
| H27 | OMe | 3.94 | 1 |
| H26 | OMe | 3.94 | 1 |
| H29 | OMe | 3.94 | 1 |
| H31 | OMe | 3.94 | 1 |
| H30 | OMe | 3.94 | 1 |
| H34 | B | 5.96 | 1 |
| H32 | 2 | 7.24 | 1 |
| H33 | 6 | 7.24 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 17.77 | 1 |
| C2 | AcMe | 20.63 | 1 |
| C3 | OMe | 56.85 | 1 |
| C4 | OMe | 56.85 | 1 |
| C7 | B | 71.98 | 1 |
| C5 | 2 | 107.38 | 1 |
| C6 | 6 | 107.38 | 1 |
| C9 | 1 | 126.17 | 1 |
| C13 | 4 | 142.41 | 1 |
| C10 | 3 | 148.59 | 1 |
| C11 | 5 | 148.59 | 1 |
| C8 | AcC=O | 170.42 | 1 |
| C12 | A | 195.30 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 17.43 | 1 |
| C2 | AcMe | 20.40 | 1 |
| C3 | OMe | 56.22 | 1 |
| C4 | OMe | 56.22 | 1 |
| C7 | B | 71.15 | 1 |
| C5 | 2 | 106.43 | 1 |
| C6 | 6 | 106.43 | 1 |
| C9 | 1 | 124.02 | 1 |
| C13 | 4 | 141.67 | 1 |
| C10 | 3 | 147.75 | 1 |
| C11 | 5 | 147.75 | 1 |
| C8 | AcC=O | 169.70 | 1 |
| C12 | A | 194.63 | 1 |