1-(4-acetoxy-3,5-dimethoxyphenyl)-3-hydroxy-2-(2-methoxyphenoxy)propan-1-one (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, 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 |
|---|---|---|---|
| C1 | AcMe | 20.41 | 1 |
| C2 | BOMe | 55.73 | 1 |
| C3 | AOMe | 56.29 | 1 |
| C4 | AOMe | 56.29 | 1 |
| C11 | G | 63.39 | 1 |
| C18 | B | 84.41 | 1 |
| C9 | A2 | 105.84 | 1 |
| C10 | A6 | 105.84 | 1 |
| C7 | B2 | 112.33 | 1 |
| C8 | B5 | 117.86 | 1 |
| C6 | B6 | 121.23 | 1 |
| C5 | B1 | 123.61 | 1 |
| C20 | A4 | 133.42 | 1 |
| C13 | A1 | 132.81 | 1 |
| C15 | B4 | 146.71 | 1 |
| C14 | B3 | 150.24 | 1 |
| C16 | A3 | 152.32 | 1 |
| C17 | A5 | 152.32 | 1 |
| C12 | AcC=O | 168.06 | 1 |
| C19 | A | 195.72 | 1 |
| H31 | AcMe | 2.34 | 1 |
| H30 | AcMe | 2.34 | 1 |
| H29 | AcMe | 2.34 | 1 |
| H33 | BOMe | 3.82 | 1 |
| H32 | BOMe | 3.82 | 1 |
| H34 | BOMe | 3.82 | 1 |
| H35 | A3OMe | 3.83 | 1 |
| H36 | A3OMe | 3.83 | 1 |
| H37 | A3OMe | 3.83 | 1 |
| H39 | A5OMe | 3.83 | 1 |
| H40 | A5OMe | 3.83 | 1 |
| H38 | A5OMe | 3.83 | 1 |
| H47 | G | 4.09 | 1 |
| H48 | G | 4.09 | 1 |
| H49 | B | 5.38 | 1 |
| H45 | A2 | 7.36 | 1 |
| H46 | A6 | 7.36 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.21 | 1 |
| C2 | BOMe | 56.07 | 1 |
| C3 | AOMe | 56.60 | 1 |
| C4 | AOMe | 56.60 | 1 |
| C11 | G | 63.88 | 1 |
| C18 | B | 84.02 | 1 |
| C9 | A2 | 106.50 | 1 |
| C10 | A6 | 106.50 | 1 |
| C7 | B2 | 113.57 | 1 |
| C8 | B5 | 116.84 | 1 |
| C6 | B6 | 121.57 | 1 |
| C5 | B1 | 123.15 | 1 |
| C20 | A4 | 133.93 | 1 |
| C13 | A1 | 134.31 | 1 |
| C15 | B4 | 148.17 | 1 |
| C14 | B3 | 150.90 | 1 |
| C16 | A3 | 153.19 | 1 |
| C17 | A5 | 153.19 | 1 |
| C12 | AcC=O | 168.10 | 1 |
| C19 | A | 196.70 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.04 | 1 |
| C2 | BOMe | 55.39 | 1 |
| C3 | AOMe | 56.12 | 1 |
| C4 | AOMe | 56.12 | 1 |
| C11 | G | 62.35 | 1 |
| C18 | B | 81.59 | 1 |
| C9 | A2 | 105.38 | 1 |
| C10 | A6 | 105.38 | 1 |
| C7 | B2 | 112.64 | 1 |
| C8 | B5 | 114.73 | 1 |
| C6 | B6 | 120.49 | 1 |
| C5 | B1 | 121.67 | 1 |
| C20 | A4 | 132.25 | 1 |
| C13 | A1 | 132.99 | 1 |
| C15 | B4 | 146.73 | 1 |
| C14 | B3 | 149.13 | 1 |
| C16 | A3 | 151.75 | 1 |
| C17 | A5 | 151.75 | 1 |
| C12 | AcC=O | 167.58 | 1 |
| C19 | A | 195.86 | 1 |