1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propane-1,3-diol (C20 H26 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 394.41564
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
![1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2-methoxyphenoxy]propane-1,3-diol image](/ftp/pub/bmrb/metabolomics/entry_directories/bmse010249/bmse010249.png)
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.24 | 1 |
| C2 | BOMe | 55.87 | 1 |
| C3 | AOMe | 56.33 | 1 |
| C4 | AOMe | 56.33 | 1 |
| C10 | G | 61.04 | 1 |
| C11 | BA | 69.95 | 1 |
| C19 | A | 74.12 | 1 |
| C18 | B | 89.03 | 1 |
| C8 | A2 | 103.79 | 1 |
| C9 | A6 | 103.79 | 1 |
| C7 | B2 | 109.30 | 1 |
| C6 | B5 | 118.40 | 1 |
| C5 | B6 | 120.27 | 1 |
| C13 | A1 | 130.71 | 1 |
| C20 | A4 | 134.56 | 1 |
| C12 | B1 | 142.02 | 1 |
| C14 | B4 | 146.66 | 1 |
| C8 | A3 | 147.09 | 1 |
| C9 | A5 | 147.09 | 1 |
| C15 | B3 | 150.99 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.23 | 1 |
| C2 | BOMe | 56.27 | 1 |
| C3 | AOMe | 56.59 | 1 |
| C4 | AOMe | 56.59 | 1 |
| C10 | G | 61.94 | 1 |
| C11 | BA | 69.73 | 1 |
| C19 | A | 74.05 | 1 |
| C18 | B | 88.50 | 1 |
| C8 | A2 | 105.36 | 1 |
| C9 | A6 | 105.36 | 1 |
| C7 | B2 | 110.58 | 1 |
| C6 | B5 | 118.65 | 1 |
| C5 | B6 | 119.45 | 1 |
| C13 | A1 | 132.80 | 1 |
| C20 | A4 | 136.12 | 1 |
| C12 | B1 | 142.85 | 1 |
| C14 | B4 | 148.27 | 1 |
| C8 | A3 | 148.38 | 1 |
| C9 | A5 | 148.38 | 1 |
| C15 | B3 | 151.38 | 1 |
| H29 | BB | 1.38 | 1 |
| H31 | BB | 1.38 | 1 |
| H30 | BB | 1.38 | 1 |
| H33 | BOMe | 3.87 | 1 |
| H32 | BOMe | 3.87 | 1 |
| H34 | BOMe | 3.87 | 1 |
| H37 | A3OMe | 3.80 | 1 |
| H36 | A3OMe | 3.80 | 1 |
| H35 | A3OMe | 3.80 | 1 |
| H38 | A5OMe | 3.80 | 1 |
| H39 | A5OMe | 3.80 | 1 |
| H40 | A5OMe | 3.80 | 1 |
| H54 | AOH | 4.50 | 1 |
| H44 | A2 | 6.77 | 1 |
| H45 | A6 | 6.77 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.84 | 1 |
| C2 | BOMe | 55.44 | 1 |
| C3 | AOMe | 55.73 | 1 |
| C4 | AOMe | 55.73 | 1 |
| C10 | G | 59.99 | 1 |
| C11 | BA | 67.80 | 1 |
| C19 | A | 70.87 | 1 |
| C18 | B | 84.39 | 1 |
| C8 | A2 | 104.06 | 1 |
| C9 | A6 | 104.06 | 1 |
| C7 | B2 | 109.65 | 1 |
| C6 | B5 | 115.29 | 1 |
| C5 | B6 | 117.20 | 1 |
| C13 | A1 | 131.93 | 1 |
| C20 | A4 | 134.24 | 1 |
| C12 | B1 | 140.36 | 1 |
| C14 | B4 | 146.73 | 1 |
| C8 | A3 | 147.30 | 1 |
| C9 | A5 | 147.30 | 1 |
| C15 | B3 | 149.23 | 1 |