1-(4-acetoxy-3,5-dimethoxyphenyl)-2-(4-acetyl-2,6-dimethoxy Phenoxy)-3-hydroxypropan-1-one (C23 H26 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 462.44654
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 | 20.41 | 1 |
| C1 | BB | 26.41 | 1 |
| C3 | OMe | 56.24 | 4 |
| C4 | OMe | 56.24 | 4 |
| C5 | OMe | 56.39 | 4 |
| C6 | OMe | 56.39 | 4 |
| C11 | G | 63.36 | 1 |
| C20 | B | 87.06 | 1 |
| C9 | A2 | 105.72 | 1 |
| C10 | A6 | 105.72 | 1 |
| C7 | B2 | 105.75 | 1 |
| C8 | B6 | 105.75 | 1 |
| C15 | A1 | 133.17 | 1 |
| C22 | A4 | 133.27 | 1 |
| C14 | B1 | 133.27 | 1 |
| C23 | B4 | 140.52 | 1 |
| C18 | A3 | 152.33 | 1 |
| C19 | A5 | 152.33 | 1 |
| C16 | B3 | 152.36 | 1 |
| C17 | B5 | 152.36 | 1 |
| C13 | AcC=O | 168.05 | 1 |
| C12 | BA | 194.74 | 1 |
| C21 | A | 196.50 | 1 |
| H37 | AcMe | 2.35 | 1 |
| H38 | AcMe | 2.35 | 1 |
| H39 | AcMe | 2.35 | 1 |
| H34 | BB | 2.58 | 1 |
| H35 | BB | 2.58 | 1 |
| H36 | BB | 2.58 | 1 |
| H46 | A3OMe | 3.81 | 1 |
| H47 | A3OMe | 3.81 | 1 |
| H48 | A3OMe | 3.81 | 1 |
| H49 | A5OMe | 3.81 | 1 |
| H50 | A5OMe | 3.81 | 1 |
| H51 | A5OMe | 3.81 | 1 |
| H40 | B5OMe | 3.86 | 1 |
| H41 | B5OMe | 3.86 | 1 |
| H42 | B5OMe | 3.86 | 1 |
| H43 | B3OMe | 3.86 | 1 |
| H44 | B3OMe | 3.86 | 1 |
| H45 | B3OMe | 3.86 | 1 |
| H20 | B | 5.22 | 1 |
| H54 | A2 | 7.36 | 1 |
| H55 | A6 | 7.36 | 1 |
| H52 | B2 | 7.21 | 1 |
| H53 | B6 | 7.21 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.22 | 1 |
| C1 | BB | 26.54 | 1 |
| C3 | OMe | 56.56 | 4 |
| C4 | OMe | 56.56 | 4 |
| C5 | OMe | 56.70 | 4 |
| C6 | OMe | 56.70 | 4 |
| C11 | G | 63.67 | 1 |
| C20 | B | 86.08 | 1 |
| C9 | A2 | 106.52 | 1 |
| C10 | A6 | 106.52 | 1 |
| C7 | B2 | 106.62 | 1 |
| C8 | B6 | 106.62 | 1 |
| C15 | A1 | 133.66 | 1 |
| C22 | A4 | 133.80 | 1 |
| C14 | B1 | 134.87 | 1 |
| C23 | B4 | 141.29 | 1 |
| C18 | A3 | 153.21 | 1 |
| C19 | A5 | 153.21 | 1 |
| C16 | B3 | 153.21 | 1 |
| C17 | B5 | 153.21 | 1 |
| C13 | AcC=O | 168.15 | 1 |
| C12 | BA | 195.71 | 1 |
| C21 | A | 196.65 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.06 | 1 |
| C1 | BB | 26.48 | 1 |
| C3 | OMe | 56.01 | 4 |
| C4 | OMe | 56.01 | 4 |
| C5 | OMe | 56.18 | 4 |
| C6 | OMe | 56.18 | 4 |
| C11 | G | 62.39 | 1 |
| C20 | B | 83.67 | 1 |
| C9 | A2 | 105.44 | 1 |
| C10 | A6 | 105.44 | 1 |
| C7 | B2 | 105.85 | 1 |
| C8 | B6 | 105.85 | 1 |
| C15 | A1 | 131.79 | 1 |
| C22 | A4 | 132.05 | 1 |
| C14 | B1 | 133.69 | 1 |
| C23 | B4 | 140.22 | 1 |
| C18 | A3 | 151.62 | 1 |
| C19 | A5 | 151.62 | 1 |
| C16 | B3 | 151.71 | 1 |
| C17 | B5 | 151.71 | 1 |
| C13 | AcC=O | 167.60 | 1 |
| C12 | BA | 195.27 | 1 |
| C21 | A | 196.51 | 1 |