3-(4-hydroxy-3-methoxyphenyl)-2-(2-methoxy-4-propylphenoxy)propan-1-ol (C20 H26 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 346.41744
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BG | 13.77 | 1 |
| C4 | BB | 24.58 | 1 |
| C10 | A | 37.37 | 1 |
| C5 | BA | 37.76 | 1 |
| C2 | OMe | 55.76 | 4 |
| C3 | OMe | 55.89 | 4 |
| C13 | G | 63.41 | 1 |
| C16 | B | 85.32 | 1 |
| C11 | B2 | 112.16 | 1 |
| C12 | A2 | 112.32 | 1 |
| C8 | A5 | 114.34 | 1 |
| C9 | B5 | 119.95 | 1 |
| C7 | B6 | 121.00 | 1 |
| C6 | A6 | 122.08 | 1 |
| C12 | A1 | 129.75 | 1 |
| C15 | B1 | 138.23 | 1 |
| C17 | A4 | 144.20 | 1 |
| C18 | B4 | 145.33 | 1 |
| C19 | A3 | 146.44 | 1 |
| C22 | B3 | 150.88 | 1 |
| H26 | BG | 0.915 | 1 |
| H27 | BG | 0.915 | 1 |
| H28 | BG | 0.915 | 1 |
| H35 | BB | 1.594 | 1 |
| H36 | BB | 1.594 | 1 |
| H37 | BA | 2.504 | 1 |
| H38 | BA | 2.504 | 1 |
| H43 | A1 | 2.866 | 1 |
| H44 | A2 | 3.040 | 1 |
| H47 | G1 | 3.574 | 1 |
| H48 | G2 | 3.656 | 1 |
| H29 | OMe | 3.823 | 4 |
| H30 | OMe | 3.823 | 4 |
| H31 | OMe | 3.823 | 4 |
| H32 | OMe | 3.841 | 4 |
| H33 | OMe | 3.841 | 4 |
| H34 | OMe | 3.841 | 4 |
| H49 | B | 4.160 | 1 |
| H51 | Ar-OH | 5.611 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BG | 14.01 | 1 |
| C4 | BB | 25.39 | 1 |
| C10 | A | 37.74 | 1 |
| C5 | BA | 38.22 | 1 |
| C2 | OMe | 56.15 | 4 |
| C3 | OMe | 56.20 | 4 |
| C13 | G | 63.38 | 1 |
| C16 | B | 83.67 | 1 |
| C11 | B2 | 113.85 | 1 |
| C12 | A2 | 113.99 | 1 |
| C8 | A5 | 115.49 | 1 |
| C9 | B5 | 118.72 | 1 |
| C7 | B6 | 121.37 | 1 |
| C6 | A6 | 122.83 | 1 |
| C12 | A1 | 130.58 | 1 |
| C15 | B1 | 137.46 | 1 |
| C17 | A4 | 145.88 | 1 |
| C18 | B4 | 146.82 | 1 |
| C19 | A3 | 148.05 | 1 |
| C22 | B3 | 151.63 | 1 |
| H26 | BG | 0.895 | 1 |
| H27 | BG | 0.895 | 1 |
| H28 | BG | 0.895 | 1 |
| H28 | BB | 1.585 | 1 |
| H35 | BB | 1.585 | 1 |
| H36 | BA | 2.492 | 1 |
| H37 | BA | 2.492 | 1 |
| H43 | A1 | 2.91 | 1 |
| H44 | A2 | 2.94 | 1 |
| H47 | G | 3.59 | 1 |
| H48 | G | 3.59 | 1 |
| H50 | GOH | 3.731 | 1 |
| H29 | OMe | 3.786 | 4 |
| H30 | OMe | 3.786 | 4 |
| H31 | OMe | 3.786 | 4 |
| H32 | OMe | 3.802 | 4 |
| H33 | OMe | 3.802 | 4 |
| H34 | OMe | 3.802 | 4 |
| H49 | B | 4.308 | 1 |
| H40 | B6 | 6.646 | 1 |
| H41 | A5 | 6.72 | 1 |
| H39 | A6 | 6.72 | 1 |
| H45 | B2 | 6.816 | 1 |
| H42 | B5 | 6.827 | 1 |
| H40 | A2 | 6.918 | 1 |
| H51 | ArOH | 7.333 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BG | 13.75 | 1 |
| C4 | BB | 24.29 | 1 |
| C10 | A | 36.52 | 1 |
| C5 | BA | 36.97 | 1 |
| C2 | OMe | 55.49 | 4 |
| C3 | OMe | 55.58 | 4 |
| C13 | G | 61.82 | 1 |
| C16 | B | 80.83 | 1 |
| C11 | B2 | 112.89 | 1 |
| C12 | A2 | 113.64 | 1 |
| C8 | A5 | 115.19 | 1 |
| C9 | B5 | 115.70 | 1 |
| C7 | B6 | 120.21 | 1 |
| C6 | A6 | 121.63 | 1 |
| C12 | A1 | 129.16 | 1 |
| C15 | B1 | 135.30 | 1 |
| C17 | A4 | 144.79 | 1 |
| C18 | B4 | 145.45 | 1 |
| C19 | A3 | 147.26 | 1 |
| C22 | B3 | 149.69 | 1 |
| H26 | BG | 0.856 | 1 |
| H27 | BG | 0.856 | 1 |
| H28 | BG | 0.856 | 1 |
| H28 | BB | 1.531 | 1 |
| H35 | BB | 1.531 | 1 |
| H36 | BA | 2.46 | 1 |
| H37 | BA | 2.46 | 1 |
| H43 | A1 | 2.733 | 1 |
| H44 | A2 | 2.831 | 1 |
| H50 | GOH | 4.761 | 1 |
| H29 | OMe | 3.680 | 4 |
| H30 | OMe | 3.680 | 4 |
| H31 | OMe | 3.680 | 4 |
| H32 | OMe | 3.703 | 4 |
| H33 | OMe | 3.703 | 4 |
| H34 | OMe | 3.703 | 4 |
| H49 | B | 4.265 | 1 |
| H51 | Ar-OH | 8.70 | 1 |