1-(4-Hydroxy-3,5-dimethoxyphenyl)-2-[4-(1-hydroxyethyl)phenoxy]propane-1,3-diol (C19 H24 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 364.38966
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)phenoxy]propane-1,3-diol image](/ftp/pub/bmrb/metabolomics/entry_directories/bmse010252/bmse010252.png)
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.07 | 1 |
| C2 | AOMe | 56.34 | 1 |
| C3 | AOMe | 56.34 | 1 |
| C10 | G | 61.14 | 1 |
| C11 | BA | 69.75 | 1 |
| C18 | A | 73.85 | 1 |
| C17 | B | 82.97 | 1 |
| C8 | A2 | 103.70 | 1 |
| C9 | A6 | 103.70 | 1 |
| C6 | B3 | 116.34 | 1 |
| C7 | B5 | 116.34 | 1 |
| C4 | B2 | 126.84 | 1 |
| C5 | B6 | 126.84 | 1 |
| C13 | A1 | 130.90 | 1 |
| C19 | A4 | 134.56 | 1 |
| C12 | B1 | 139.33 | 1 |
| C15 | A3 | 147.07 | 1 |
| C16 | A5 | 147.07 | 1 |
| C14 | B4 | 157.42 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.17 | 1 |
| C2 | AOMe | 56.58 | 1 |
| C3 | AOMe | 56.58 | 1 |
| C10 | G | 61.73 | 1 |
| C11 | BA | 69.50 | 1 |
| C18 | A | 73.54 | 1 |
| C17 | B | 84.14 | 1 |
| C8 | A2 | 105.27 | 1 |
| C9 | A6 | 105.27 | 1 |
| C6 | B3 | 116.64 | 1 |
| C7 | B5 | 116.64 | 1 |
| C4 | B2 | 127.15 | 1 |
| C5 | B6 | 127.15 | 1 |
| C13 | A1 | 133.23 | 1 |
| C19 | A4 | 136.00 | 1 |
| C12 | B1 | 140.47 | 1 |
| C15 | A3 | 148.32 | 1 |
| C16 | A5 | 148.32 | 1 |
| C14 | B4 | 158.98 | 1 |
| H29 | BB | 1.35 | 1 |
| H27 | BB | 1.35 | 1 |
| H28 | BB | 1.35 | 1 |
| H32 | A3OMe | 3.79 | 1 |
| H31 | A3OMe | 3.79 | 1 |
| H30 | A3OMe | 3.79 | 1 |
| H33 | A5OMe | 3.79 | 1 |
| H34 | A5OMe | 3.79 | 1 |
| H35 | A5OMe | 3.79 | 1 |
| H40 | A2 | 6.77 | 1 |
| H41 | A6 | 6.77 | 1 |
| H36 | B2 | 7.23 | 1 |
| H37 | B6 | 7.23 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.81 | 1 |
| C2 | AOMe | 55.82 | 1 |
| C3 | AOMe | 55.82 | 1 |
| C10 | G | 60.01 | 1 |
| C11 | BA | 67.57 | 1 |
| C18 | A | 71.09 | 1 |
| C17 | B | 83.01 | 1 |
| C8 | A2 | 104.12 | 1 |
| C9 | A6 | 104.12 | 1 |
| C6 | B3 | 115.34 | 1 |
| C7 | B5 | 115.34 | 1 |
| C4 | B2 | 126.13 | 1 |
| C5 | B6 | 126.13 | 1 |
| C13 | A1 | 132.31 | 1 |
| C19 | A4 | 134.31 | 1 |
| C12 | B1 | 139.21 | 1 |
| C15 | A3 | 147.36 | 1 |
| C16 | A5 | 147.36 | 1 |
| C14 | B4 | 157.69 | 1 |