1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-(2-methoxyphenoxy)propane (C24 H28 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 476.47312
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.42 | 4 |
| C2 | AcMe | 20.71 | 4 |
| C3 | AcMe | 21.05 | 4 |
| C4 | BOMe | 55.77 | 1 |
| C5 | OMe | 56.20 | 1 |
| C6 | OMe | 56.20 | 1 |
| C13 | G | 63.08 | 1 |
| C23 | A | 74.77 | 1 |
| C2 | b | 80.23 | 1 |
| C11 | A2 | 104.08 | 1 |
| C12 | A6 | 104.08 | 1 |
| C9 | B2 | 112.48 | 1 |
| C10 | B5 | 118.61 | 1 |
| C8 | B6 | 120.98 | 1 |
| C7 | B1 | 123.28 | 1 |
| C24 | A4 | 128.79 | 1 |
| C17 | A1 | 134.80 | 1 |
| C19 | B4 | 147.92 | 1 |
| C18 | B3 | 150.76 | 1 |
| C20 | A3 | 152.16 | 1 |
| C21 | A5 | 152.16 | 1 |
| C16 | A4AcC=O | 168.47 | 1 |
| C14 | AAcC=O | 169.68 | 1 |
| C15 | GAcC=O | 170.55 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.24 | 4 |
| C2 | AcMe | 20.62 | 4 |
| C3 | AcMe | 20.94 | 4 |
| C4 | BOMe | 56.20 | 1 |
| C5 | OMe | 56.52 | 1 |
| C6 | OMe | 56.52 | 1 |
| C13 | G | 63.60 | 1 |
| C23 | A | 75.67 | 1 |
| C2 | b | 80.64 | 1 |
| C11 | A2 | 104.93 | 1 |
| C12 | A6 | 104.93 | 1 |
| C9 | B2 | 113.71 | 1 |
| C10 | B5 | 119.04 | 1 |
| C8 | B6 | 121.66 | 1 |
| C7 | B1 | 123.68 | 1 |
| C24 | A4 | 129.65 | 1 |
| C17 | A1 | 136.18 | 1 |
| C19 | B4 | 149.06 | 1 |
| C18 | B3 | 151.75 | 1 |
| C20 | A3 | 153.14 | 1 |
| C21 | A5 | 153.14 | 1 |
| C16 | A4AcC=O | 168.41 | 1 |
| C14 | AAcC=O | 169.97 | 1 |
| C15 | GAcC=O | 170.66 | 1 |
| H35 | AcMe | 1.97 | 4 |
| H36 | AcMe | 1.97 | 4 |
| H37 | AcMe | 1.97 | 4 |
| H38 | AcMe | 2.02 | 4 |
| H39 | AcMe | 2.02 | 4 |
| H40 | AcMe | 2.02 | 4 |
| H42 | AcMe | 2.21 | 4 |
| H41 | AcMe | 2.21 | 4 |
| H43 | AcMe | 2.21 | 4 |
| H47 | A3OMe | 3.80 | 1 |
| H49 | A3OMe | 3.80 | 1 |
| H48 | A3OMe | 3.80 | 1 |
| H51 | A5OMe | 3.80 | 1 |
| H52 | A5OMe | 3.80 | 1 |
| H50 | A5OMe | 3.80 | 1 |
| H45 | OMe | 3.81 | 1 |
| H44 | OMe | 3.81 | 1 |
| H46 | OMe | 3.81 | 1 |
| H59 | G1 | 4.04 | 1 |
| H60 | G2 | 4.26 | 1 |
| H61 | B | 4.79 | 1 |
| H62 | A | 6.08 | 1 |
| H57 | A2 | 6.85 | 1 |
| H58 | A6 | 6.85 | 1 |
| H53 | B1 | 6.97 | 1 |
| H55 | B2 | 6.99 | 1 |
| H56 | B5 | 7.04 | 1 |
| H54 | B6 | 6.87 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.05 | 4 |
| C2 | AcMe | 20.39 | 4 |
| C3 | AcMe | 20.65 | 4 |
| C4 | BOMe | 55.52 | 1 |
| C5 | OMe | 55.97 | 1 |
| C6 | OMe | 55.97 | 1 |
| C13 | G | 62.48 | 1 |
| C23 | A | 74.58 | 1 |
| C2 | b | 79.00 | 1 |
| C11 | A2 | 103.92 | 1 |
| C12 | A6 | 103.92 | 1 |
| C9 | B2 | 112.69 | 1 |
| C10 | B5 | 117.31 | 1 |
| C8 | B6 | 120.63 | 1 |
| C7 | B1 | 122.49 | 1 |
| C24 | A4 | 127.81 | 1 |
| C17 | A1 | 134.99 | 1 |
| C19 | B4 | 147.54 | 1 |
| C18 | B3 | 150.06 | 1 |
| C20 | A3 | 151.56 | 1 |
| C21 | A5 | 151.56 | 1 |
| C16 | A4AcC=O | 167.89 | 1 |
| C14 | AAcC=O | 169.34 | 1 |
| C15 | GAcC=O | 169.94 | 1 |