1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(4-acetoxy-2-methoxyphenoxy)-3-hydroxypropan-1-one (C22 H24 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 432.42056
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain, a-C=O
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.39 | 1 |
| C1 | BB | 26.23 | 1 |
| C3 | BOMe | 55.91 | 1 |
| C4 | AOMe | 56.32 | 1 |
| C5 | AOMe | 56.32 | 1 |
| C11 | G | 63.47 | 1 |
| C20 | B | 83.63 | 1 |
| C9 | A2 | 105.80 | 1 |
| C10 | A6 | 105.80 | 1 |
| C8 | B2 | 111.17 | 1 |
| C7 | B5 | 114.89 | 1 |
| C6 | B6 | 123.01 | 1 |
| C15 | A1 | 132.23 | 1 |
| C14 | B1 | 132.38 | 1 |
| C22 | A4 | 133.75 | 1 |
| C17 | B3 | 149.76 | 1 |
| C16 | B4 | 150.76 | 1 |
| C18 | A3 | 152.47 | 1 |
| C19 | A5 | 152.47 | 1 |
| C13 | AcC=O | 168.00 | 1 |
| C12 | BA | 194.85 | 1 |
| C21 | A | 196.57 | 1 |
| H35 | AcMe | 2.34 | 1 |
| H37 | AcMe | 2.34 | 1 |
| H36 | AcMe | 2.34 | 1 |
| H32 | BB | 2.53 | 1 |
| H33 | BB | 2.53 | 1 |
| H34 | BB | 2.53 | 1 |
| H39 | B3OMe | 3.89 | 1 |
| H38 | B3OMe | 3.89 | 1 |
| H40 | B3OMe | 3.89 | 1 |
| H43 | A3OMe | 3.85 | 1 |
| H41 | A3OMe | 3.85 | 1 |
| H42 | A3OMe | 3.85 | 1 |
| H46 | A5OMe | 3.85 | 1 |
| H45 | A5OMe | 3.85 | 1 |
| H44 | A5OMe | 3.85 | 1 |
| H52 | G | 4.17 | 1 |
| H53 | G | 4.17 | 1 |
| H54 | B | 5.53 | 1 |
| H50 | A2 | 7.38 | 1 |
| H51 | A6 | 7.38 | 1 |
| H49 | B2 | 7.53 | 1 |
| H48 | B5 | 6.82 | 1 |
| H47 | B6 | 7.45 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.21 | 1 |
| C1 | BB | 26.30 | 1 |
| C3 | BOMe | 56.28 | 1 |
| C4 | AOMe | 56.69 | 1 |
| C5 | AOMe | 56.69 | 1 |
| C11 | G | 63.91 | 1 |
| C20 | B | 83.76 | 1 |
| C9 | A2 | 106.56 | 1 |
| C10 | A6 | 106.56 | 1 |
| C8 | B2 | 112.34 | 1 |
| C7 | B5 | 114.72 | 1 |
| C6 | B6 | 123.46 | 1 |
| C15 | A1 | 132.37 | 1 |
| C14 | B1 | 134.04 | 1 |
| C22 | A4 | 134.22 | 1 |
| C17 | B3 | 150.40 | 1 |
| C16 | B4 | 152.27 | 1 |
| C18 | A3 | 153.35 | 1 |
| C19 | A5 | 153.35 | 1 |
| C13 | AcC=O | 168.08 | 1 |
| C12 | BA | 195.94 | 1 |
| C21 | A | 196.27 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.05 | 1 |
| C1 | BB | 26.23 | 1 |
| C3 | BOMe | 55.55 | 1 |
| C4 | AOMe | 56.22 | 1 |
| C5 | AOMe | 56.22 | 1 |
| C11 | G | 62.32 | 1 |
| C20 | B | 81.51 | 1 |
| C9 | A2 | 105.45 | 1 |
| C10 | A6 | 105.45 | 1 |
| C8 | B2 | 111.05 | 1 |
| C7 | B5 | 113.02 | 1 |
| C6 | B6 | 122.65 | 1 |
| C15 | A1 | 130.46 | 1 |
| C14 | B1 | 132.75 | 1 |
| C22 | A4 | 132.46 | 1 |
| C17 | B3 | 148.67 | 1 |
| C16 | B4 | 150.96 | 1 |
| C18 | A3 | 151.87 | 1 |
| C19 | A5 | 151.87 | 1 |
| C13 | AcC=O | 167.57 | 1 |
| C12 | BA | 195.02 | 1 |
| C21 | A | 196.14 | 1 |