1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2-methoxyphenoxy] (C28 H34 O12)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 562.56236
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
![1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2-methoxyphenoxy] image](/ftp/pub/bmrb/metabolomics/entry_directories/bmse010258/bmse010258.png)
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.42 | 4 |
| C3 | AcMe | 20.70 | 4 |
| C4 | AcMe | 21.04 | 4 |
| C5 | AcMe | 21.35 | 4 |
| C1 | BB | 22.08 | 1 |
| C6 | BOMe | 55.88 | 1 |
| C7 | AOMe | 56.21 | 1 |
| C8 | AOMe | 56.21 | 1 |
| C14 | G | 62.98 | 1 |
| C15 | BA | 72.06 | 1 |
| C27 | A | 74.65 | 1 |
| C26 | B | 80.12 | 1 |
| C12 | A2 | 104.09 | 1 |
| C13 | A6 | 104.09 | 1 |
| C11 | B2 | 110.64 | 1 |
| C10 | B5 | 118.22 | 1 |
| C9 | B6 | 118.65 | 1 |
| C28 | A4 | 128.83 | 1 |
| C21 | A1 | 134.71 | 1 |
| C20 | B1 | 136.72 | 1 |
| C22 | B4 | 147.53 | 1 |
| C23 | B3 | 150.58 | 1 |
| C24 | A3 | 152.17 | 1 |
| C25 | A5 | 152.17 | 1 |
| C19 | A4AcC=O | 168.47 | 1 |
| C18 | AAcC=O | 169.66 | 1 |
| C17 | BAAcC=O | 170.27 | 1 |
| C16 | GAcC=O | 170.55 | 1 |
| H46 | AcMe | 2.00 | 4 |
| H44 | AcMe | 2.00 | 4 |
| H45 | AcMe | 2.00 | 4 |
| H48 | AcMe | 2.06 | 4 |
| H49 | AcMe | 2.06 | 4 |
| H47 | AcMe | 2.06 | 4 |
| H52 | AcMe | 2.07 | 4 |
| H51 | AcMe | 2.07 | 4 |
| H50 | AcMe | 2.07 | 4 |
| H53 | AcMe | 2.32 | 4 |
| H55 | AcMe | 2.32 | 4 |
| H54 | AcMe | 2.32 | 4 |
| H42 | BB | 1.52 | 1 |
| H43 | BB | 1.52 | 1 |
| H41 | BB | 1.52 | 1 |
| H57 | BOMe | 3.83 | 1 |
| H56 | BOMe | 3.83 | 1 |
| H58 | BOMe | 3.83 | 1 |
| H61 | A3OMe | 3.81 | 1 |
| H60 | A3OMe | 3.81 | 1 |
| H59 | A3OMe | 3.81 | 1 |
| H64 | A5OMe | 3.81 | 1 |
| H63 | A5OMe | 3.81 | 1 |
| H62 | A5OMe | 3.81 | 1 |
| H70 | G1 | 4.07 | 1 |
| H71 | G2 | 4.32 | 1 |
| H73 | B | 4.60 | 1 |
| H72 | BA | 5.82 | 1 |
| H74 | A | 6.08 | 1 |
| H68 | A2 | 6.67 | 1 |
| H69 | A6 | 6.67 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.23 | 4 |
| C3 | AcMe | 20.62 | 4 |
| C4 | AcMe | 20.93 | 4 |
| C5 | AcMe | 21.15 | 4 |
| C1 | BB | 22.46 | 1 |
| C6 | BOMe | 56.29 | 1 |
| C7 | AOMe | 56.52 | 1 |
| C8 | AOMe | 56.52 | 1 |
| C14 | G | 63.58 | 1 |
| C15 | BA | 72.40 | 1 |
| C27 | A | 75.64 | 1 |
| C26 | B | 80.68 | 1 |
| C12 | A2 | 104.93 | 1 |
| C13 | A6 | 104.93 | 1 |
| C11 | B2 | 111.71 | 1 |
| C10 | B5 | 118.71 | 1 |
| C9 | B6 | 119.18 | 1 |
| C28 | A4 | 129.65 | 1 |
| C21 | A1 | 136.12 | 1 |
| C20 | B1 | 137.72 | 1 |
| C22 | B4 | 148.51 | 1 |
| C23 | B3 | 151.52 | 1 |
| C24 | A3 | 153.14 | 1 |
| C25 | A5 | 153.14 | 1 |
| C19 | A4AcC=O | 168.40 | 1 |
| C18 | AAcC=O | 169.96 | 1 |
| C17 | BAAcC=O | 170.17 | 1 |
| C16 | GAcC=O | 170.65 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.04 | 4 |
| C3 | AcMe | 20.37 | 4 |
| C4 | AcMe | 20.63 | 4 |
| C5 | AcMe | 20.93 | 4 |
| C1 | BB | 21.87 | 1 |
| C6 | BOMe | 55.61 | 1 |
| C7 | AOMe | 55.96 | 1 |
| C8 | AOMe | 55.96 | 1 |
| C14 | G | 62.42 | 1 |
| C15 | BA | 71.35 | 1 |
| C27 | A | 74.54 | 1 |
| C26 | B | 79.08 | 1 |
| C12 | A2 | 103.91 | 1 |
| C13 | A6 | 103.91 | 1 |
| C11 | B2 | 110.55 | 1 |
| C10 | B5 | 117.03 | 1 |
| C9 | B6 | 118.05 | 1 |
| C28 | A4 | 127.78 | 1 |
| C21 | A1 | 134.92 | 1 |
| C20 | B1 | 136.00 | 1 |
| C22 | B4 | 146.99 | 1 |
| C23 | B3 | 149.82 | 1 |
| C24 | A3 | 151.52 | 1 |
| C25 | A5 | 151.52 | 1 |
| C19 | A4AcC=O | 167.88 | 1 |
| C18 | AAcC=O | 169.32 | 1 |
| C17 | BAAcC=O | 169.52 | 1 |
| C16 | GAcC=O | 169.92 | 1 |