Lignin_cw_compound_26 (C20 H22 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 390.38388
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 | 20.42 | 1 |
| C2 | BOMe | 56.08 | 1 |
| C3 | BOMe | 56.08 | 1 |
| C4 | AOMe | 56.37 | 1 |
| C5 | AOMe | 56.37 | 1 |
| C11 | B | 75.54 | 1 |
| C7 | B2 | 105.35 | 1 |
| C8 | B6 | 105.35 | 1 |
| C9 | A2 | 105.54 | 1 |
| C10 | A6 | 105.54 | 1 |
| C6 | B1 | 124.26 | 1 |
| C13 | A1 | 133.12 | 1 |
| C20 | A4 | 133.12 | 1 |
| C19 | B4 | 136.45 | 1 |
| C17 | A3 | 152.26 | 1 |
| C18 | A5 | 152.26 | 1 |
| C15 | B3 | 153.27 | 1 |
| C16 | B5 | 153.27 | 1 |
| C12 | AcC=0 | 168.11 | 1 |
| C14 | A | 194.03 | 1 |
| H29 | AcMe | 2.34 | 1 |
| H30 | AcMe | 2.34 | 1 |
| H31 | AcMe | 2.34 | 1 |
| H32 | BOMe | 3.80 | 1 |
| H33 | BOMe | 3.80 | 1 |
| H34 | BOMe | 3.80 | 1 |
| H35 | BOMe | 3.80 | 1 |
| H36 | BOMe | 3.80 | 1 |
| H37 | BOMe | 3.80 | 1 |
| H38 | AOMe | 3.87 | 1 |
| H39 | AOMe | 3.87 | 1 |
| H40 | AOMe | 3.87 | 1 |
| H41 | AOMe | 3.87 | 1 |
| H42 | AOMe | 3.87 | 1 |
| H43 | AOMe | 3.87 | 1 |
| H49 | B | 5.13 | 1 |
| H50 | B | 5.13 | 1 |
| H47 | A2 | 7.40 | 1 |
| H48 | A6 | 7.40 | 1 |
| H45 | B2 | 6.58 | 1 |
| H46 | B6 | 6.58 | 1 |
| H44 | B1 | 7.02 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.23 | 1 |
| C2 | BOMe | 56.44 | 1 |
| C3 | BOMe | 56.44 | 1 |
| C4 | AOMe | 56.71 | 1 |
| C5 | AOMe | 56.71 | 1 |
| C11 | B | 75.99 | 1 |
| C7 | B2 | 106.34 | 1 |
| C8 | B6 | 106.34 | 1 |
| C9 | A2 | 106.50 | 1 |
| C10 | A6 | 106.50 | 1 |
| C6 | B1 | 124.95 | 1 |
| C13 | A1 | 133.94 | 1 |
| C20 | A4 | 134.21 | 1 |
| C19 | B4 | 137.50 | 1 |
| C17 | A3 | 153.30 | 1 |
| C18 | A5 | 153.30 | 1 |
| C15 | B3 | 154.36 | 1 |
| C16 | B5 | 154.36 | 1 |
| C12 | AcC=0 | 168.15 | 1 |
| C14 | A | 194.58 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.02 | 1 |
| C2 | BOMe | 55.82 | 1 |
| C3 | BOMe | 55.82 | 1 |
| C4 | AOMe | 56.18 | 1 |
| C5 | AOMe | 56.18 | 1 |
| C11 | B | 74.59 | 1 |
| C7 | B2 | 104.87 | 1 |
| C8 | B6 | 104.87 | 1 |
| C9 | A2 | 105.53 | 1 |
| C10 | A6 | 105.53 | 1 |
| C6 | B1 | 123.88 | 1 |
| C13 | A1 | 132.10 | 1 |
| C20 | A4 | 132.64 | 1 |
| C19 | B4 | 135.81 | 1 |
| C17 | A3 | 151.80 | 1 |
| C18 | A5 | 151.80 | 1 |
| C15 | B3 | 152.74 | 1 |
| C16 | B5 | 152.74 | 1 |
| C12 | AcC=0 | 167.60 | 1 |
| C14 | A | 193.75 | 1 |