1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)-2,6-dimethoxyphenoxy]propane-1,3-diol (C21 H28 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 424.44162
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)-2,6-dimethoxyphenoxy]propane-1,3-diol image](/ftp/pub/bmrb/metabolomics/entry_directories/bmse010250/bmse010250.png)
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.43 | 1 |
| C2 | OMe | 56.12 | 4 |
| C3 | OMe | 56.12 | 4 |
| C4 | OMe | 56.31 | 4 |
| C5 | OMe | 56.31 | 4 |
| C10 | G | 60.48 | 1 |
| C11 | BA | 70.21 | 1 |
| C19 | A | 74.34 | 1 |
| C18 | B | 88.97 | 1 |
| C6 | B2 | 102.27 | 1 |
| C7 | B6 | 102.27 | 1 |
| C8 | A2 | 104.04 | 1 |
| C9 | A6 | 104.04 | 1 |
| C13 | A1 | 130.99 | 1 |
| C12 | B1 | 134.10 | 1 |
| C20 | A4 | 134.46 | 1 |
| C21 | B4 | 142.94 | 1 |
| C14 | A3 | 147.02 | 1 |
| C15 | A5 | 147.02 | 1 |
| C16 | B3 | 152.88 | 1 |
| C17 | B5 | 152.88 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.27 | 1 |
| C2 | OMe | 56.50 | 4 |
| C3 | OMe | 56.50 | 4 |
| C4 | OMe | 56.57 | 4 |
| C5 | OMe | 56.57 | 4 |
| C10 | G | 61.41 | 1 |
| C11 | BA | 69.98 | 1 |
| C19 | A | 74.22 | 1 |
| C18 | B | 89.69 | 1 |
| C6 | B2 | 103.41 | 1 |
| C7 | B6 | 103.41 | 1 |
| C8 | A2 | 105.46 | 1 |
| C9 | A6 | 105.46 | 1 |
| C13 | A1 | 132.60 | 1 |
| C12 | B1 | 135.54 | 1 |
| C20 | A4 | 136.11 | 1 |
| C21 | B4 | 144.61 | 1 |
| C14 | A3 | 148.30 | 1 |
| C15 | A5 | 148.30 | 1 |
| C16 | B3 | 153.58 | 1 |
| C17 | B5 | 153.58 | 1 |
| H33 | BB | 1.39 | 1 |
| H31 | BB | 1.39 | 1 |
| H32 | BB | 1.39 | 1 |
| H34 | A3OMe | 3.80 | 1 |
| H36 | A3OMe | 3.80 | 1 |
| H35 | A3OMe | 3.80 | 1 |
| H37 | A5OMe | 3.80 | 1 |
| H38 | A5OMe | 3.80 | 1 |
| H39 | A5OMe | 3.80 | 1 |
| H40 | B3OMe | 3.89 | 1 |
| H42 | B3OMe | 3.89 | 1 |
| H41 | B3OMe | 3.89 | 1 |
| H44 | B5OMe | 3.89 | 1 |
| H43 | B5OMe | 3.89 | 1 |
| H45 | B5OMe | 3.89 | 1 |
| H52 | BA | 4.81 | 1 |
| H54 | A | 4.97 | 1 |
| H46 | B2 | 6.77 | 1 |
| H47 | B5 | 6.77 | 1 |
| H48 | A2 | 6.76 | 1 |
| H49 | A6 | 6.76 | 1 |
| H51 | G2 | 3.31 | 1 |
| H56 | BAOH | 4.27 | 1 |
| H58 | AOH | 4.44 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.84 | 1 |
| C2 | OMe | 55.80 | 1 |
| C3 | OMe | 55.80 | 1 |
| C4 | OMe | 55.80 | 1 |
| C5 | OMe | 55.80 | 1 |
| C10 | G | 60.15 | 1 |
| C11 | BA | 68.09 | 1 |
| C19 | A | 71.54 | 1 |
| C18 | B | 87.11 | 1 |
| C6 | B2 | 102.49 | 1 |
| C7 | B6 | 102.49 | 1 |
| C8 | A2 | 104.14 | 1 |
| C9 | A6 | 104.14 | 1 |
| C13 | A1 | 131.97 | 1 |
| C12 | B1 | 134.22 | 1 |
| C20 | A4 | 134.50 | 1 |
| C21 | B4 | 142.91 | 1 |
| C14 | A3 | 147.25 | 1 |
| C15 | A5 | 147.25 | 1 |
| C16 | B3 | 152.14 | 1 |
| C17 | B5 | 152.14 | 1 |