1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(4-acetylphenoxy)-3-hydroxypropan-1-one (C21 H22 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 402.39458
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 | 20.40 | 1 |
| C1 | BB | 26.33 | 1 |
| C3 | OMe | 56.36 | 1 |
| C4 | OMe | 56.36 | 1 |
| C11 | G | 63.32 | 1 |
| C19 | B | 81.33 | 1 |
| C9 | A2 | 105.67 | 1 |
| C10 | A6 | 105.67 | 1 |
| C7 | B3 | 114.83 | 1 |
| C8 | B5 | 114.83 | 1 |
| C5 | B2 | 130.78 | 1 |
| C6 | B6 | 130.78 | 1 |
| C15 | A1 | 131.38 | 1 |
| C14 | B1 | 132.25 | 1 |
| C21 | A4 | 133.87 | 1 |
| C17 | A3 | 152.55 | 1 |
| C18 | A5 | 152.55 | 1 |
| C16 | B4 | 161.00 | 1 |
| C13 | AcC=O | 168.06 | 1 |
| C12 | BA | 194.60 | 1 |
| C20 | A | 196.64 | 1 |
| H33 | AcMe | 2.34 | 1 |
| H35 | AcMe | 2.34 | 1 |
| H34 | AcMe | 2.34 | 1 |
| H32 | BB | 2.51 | 1 |
| H31 | BB | 2.51 | 1 |
| H30 | BB | 2.51 | 1 |
| H38 | A3OMe | 3.82 | 1 |
| H36 | A3OMe | 3.82 | 1 |
| H37 | A3OMe | 3.82 | 1 |
| H41 | A5OMe | 3.82 | 1 |
| H40 | A5OMe | 3.82 | 1 |
| H39 | A5OMe | 3.82 | 1 |
| H48 | G | 4.19 | 1 |
| H49 | G | 4.19 | 1 |
| H50 | B | 5.60 | 1 |
| H46 | A2 | 7.32 | 1 |
| H47 | A6 | 7.32 | 1 |
| H44 | B3 | 6.90 | 1 |
| H45 | B5 | 6.90 | 1 |
| H42 | B2 | 7.87 | 1 |
| H43 | B6 | 7.87 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.21 | 1 |
| C1 | BB | 26.34 | 1 |
| C3 | OMe | 56.76 | 1 |
| C4 | OMe | 56.76 | 1 |
| C11 | G | 63.94 | 1 |
| C19 | B | 82.26 | 1 |
| C9 | A2 | 106.40 | 1 |
| C10 | A6 | 106.40 | 1 |
| C7 | B3 | 115.68 | 1 |
| C8 | B5 | 115.68 | 1 |
| C5 | B2 | 131.20 | 1 |
| C6 | B6 | 131.20 | 1 |
| C15 | A1 | 131.80 | 1 |
| C14 | B1 | 133.97 | 1 |
| C21 | A4 | 134.34 | 1 |
| C17 | A3 | 153.47 | 1 |
| C18 | A5 | 153.47 | 1 |
| C16 | B4 | 162.44 | 1 |
| C13 | AcC=O | 168.11 | 1 |
| C12 | BA | 195.47 | 1 |
| C20 | A | 196.21 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.05 | 1 |
| C1 | BB | 26.28 | 1 |
| C3 | OMe | 56.31 | 1 |
| C4 | OMe | 56.31 | 1 |
| C11 | G | 62.41 | 1 |
| C19 | B | 80.64 | 1 |
| C9 | A2 | 105.42 | 1 |
| C10 | A6 | 105.42 | 1 |
| C7 | B3 | 114.78 | 1 |
| C8 | B5 | 114.78 | 1 |
| C5 | B2 | 130.36 | 1 |
| C6 | B6 | 130.36 | 1 |
| C15 | A1 | 130.19 | 1 |
| C14 | B1 | 132.74 | 1 |
| C21 | A4 | 132.55 | 1 |
| C17 | A3 | 151.98 | 1 |
| C18 | A5 | 151.98 | 1 |
| C16 | B4 | 161.22 | 1 |
| C13 | AcC=O | 167.62 | 1 |
| C12 | BA | 194.76 | 1 |
| C20 | A | 196.08 | 1 |