Lignin_cw_compound_27 (C19 H20 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 360.3579
This is of the category: b-O-4 Dimers, 2-Carbon Sidechain
Concentration: Saturated (Source: John Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.41 | 1 |
| C2 | BOMe | 55.85 | 1 |
| C3 | AOMe | 56.34 | 1 |
| C4 | AOMe | 56.34 | 1 |
| C11 | B | 72.53 | 1 |
| C9 | A2 | 105.25 | 1 |
| C10 | A6 | 105.25 | 1 |
| C7 | B2 | 112.26 | 1 |
| C8 | B5 | 114.95 | 1 |
| C6 | B6 | 120.89 | 1 |
| C5 | B1 | 122.64 | 1 |
| C13 | A1 | 133.41 | 1 |
| C19 | A4 | 132.58 | 1 |
| C15 | B3 | 147.37 | 1 |
| C16 | B4 | 149.79 | 1 |
| C17 | A3 | 152.41 | 1 |
| C18 | A5 | 152.41 | 1 |
| C12 | AcC=0 | 168.06 | 1 |
| C14 | A | 193.77 | 1 |
| H27 | AcMe | 2.35 | 1 |
| H28 | AcMe | 2.35 | 1 |
| H29 | AcMe | 2.35 | 1 |
| H30 | BOMe | 3.87 | 1 |
| H31 | BOMe | 3.87 | 1 |
| H32 | BOMe | 3.87 | 1 |
| H33 | AOMe | 3.87 | 1 |
| H34 | AOMe | 3.87 | 1 |
| H35 | AOMe | 3.87 | 1 |
| H36 | AOMe | 3.87 | 1 |
| H37 | AOMe | 3.87 | 1 |
| H38 | AOMe | 3.87 | 1 |
| H45 | B | 5.26 | 1 |
| H46 | B | 5.26 | 1 |
| H43 | A2 | 7.34 | 1 |
| H44 | A6 | 7.34 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.23 | 1 |
| C2 | BOMe | 56.25 | 1 |
| C3 | AOMe | 56.73 | 1 |
| C4 | AOMe | 56.73 | 1 |
| C11 | B | 72.65 | 1 |
| C9 | A2 | 105.90 | 1 |
| C10 | A6 | 105.90 | 1 |
| C7 | B2 | 113.68 | 1 |
| C8 | B5 | 115.73 | 1 |
| C6 | B6 | 121.56 | 1 |
| C5 | B1 | 122.80 | 1 |
| C13 | A1 | 134.14 | 1 |
| C19 | A4 | 133.81 | 1 |
| C15 | B3 | 148.96 | 1 |
| C16 | B4 | 150.90 | 1 |
| C17 | A3 | 153.45 | 1 |
| C18 | A5 | 153.45 | 1 |
| C12 | AcC=0 | 168.14 | 1 |
| C14 | A | 194.35 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.03 | 1 |
| C2 | BOMe | 55.51 | 1 |
| C3 | AOMe | 56.24 | 1 |
| C4 | AOMe | 56.24 | 1 |
| C11 | B | 70.85 | 1 |
| C9 | A2 | 104.78 | 1 |
| C10 | A6 | 104.78 | 1 |
| C7 | B2 | 112.48 | 1 |
| C8 | B5 | 113.80 | 1 |
| C6 | B6 | 120.45 | 1 |
| C5 | B1 | 121.37 | 1 |
| C13 | A1 | 132.32 | 1 |
| C19 | A4 | 132.38 | 1 |
| C15 | B3 | 147.33 | 1 |
| C16 | B4 | 148.96 | 1 |
| C17 | A3 | 151.90 | 1 |
| C18 | A5 | 151.90 | 1 |
| C12 | AcC=0 | 167.59 | 1 |
| C14 | A | 193.70 | 1 |