1-(4-acetoxy-3,5-dimethoxyphenyl)-1,3-diacetoxy-2-[4-(1-acetoxyethyl)-2,6-dimethoxyphenoxy]propane (C29 H36 O13)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 592.58834
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)-2,6-dimethoxyphenoxy]propane image](/ftp/pub/bmrb/metabolomics/entry_directories/bmse010259/bmse010259.png)
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.42 | 4 |
| C3 | AcMe | 20.72 | 4 |
| C4 | AcMe | 21.02 | 4 |
| C5 | AcMe | 21.33 | 4 |
| C1 | BB | 22.25 | 1 |
| C6 | OMe | 56.02 | 4 |
| C7 | OMe | 56.02 | 4 |
| C8 | OMe | 56.21 | 4 |
| C9 | OMe | 56.21 | 4 |
| C14 | G | 63.53 | 1 |
| C15 | BA | 72.35 | 1 |
| C27 | A | 75.61 | 1 |
| C26 | B | 80.64 | 1 |
| C10 | B2 | 103.14 | 1 |
| C11 | B6 | 103.14 | 1 |
| C12 | A2 | 104.18 | 1 |
| C13 | A6 | 104.18 | 1 |
| C28 | A4 | 128.64 | 1 |
| C21 | A1 | 135.46 | 1 |
| C20 | B1 | 135.95 | 1 |
| C29 | B4 | 137.57 | 1 |
| C24 | A3 | 151.98 | 1 |
| C25 | A5 | 151.98 | 1 |
| C22 | B3 | 152.87 | 1 |
| C23 | B5 | 152.87 | 1 |
| C19 | A4AcC=O | 168.49 | 1 |
| C18 | AAcC=O | 169.70 | 1 |
| C17 | BAAcC=O | 170.16 | 1 |
| C16 | GAcC=O | 170.50 | 1 |
| H46 | AcMe | 2.01 | 4 |
| H47 | AcMe | 2.01 | 4 |
| H48 | AcMe | 2.01 | 4 |
| H50 | AcMe | 2.07 | 4 |
| H49 | AcMe | 2.07 | 4 |
| H51 | AcMe | 2.07 | 4 |
| H54 | AcMe | 2.08 | 4 |
| H53 | AcMe | 2.08 | 4 |
| H52 | AcMe | 2.08 | 4 |
| H56 | AcMe | 2.32 | 4 |
| H55 | AcMe | 2.32 | 4 |
| H57 | AcMe | 2.32 | 4 |
| H44 | BB | 1.52 | 1 |
| H43 | BB | 1.52 | 1 |
| H45 | BB | 1.52 | 1 |
| H58 | OMe | 3.78 | 4 |
| H60 | OMe | 3.78 | 4 |
| H59 | OMe | 3.78 | 4 |
| H62 | OMe | 3.80 | 4 |
| H61 | OMe | 3.80 | 4 |
| H63 | OMe | 3.80 | 4 |
| H74 | G1 | 3.94 | 1 |
| H75 | G2 | 4.36 | 1 |
| H77 | B | 4.54 | 1 |
| H76 | BA | 5.79 | 1 |
| H78 | A | 6.12 | 1 |
| H70 | B2 | 6.55 | 1 |
| H71 | B6 | 6.55 | 1 |
| H72 | A2 | 6.70 | 1 |
| H73 | A6 | 6.70 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.23 | 4 |
| C3 | AcMe | 20.63 | 4 |
| C4 | AcMe | 20.92 | 4 |
| C5 | AcMe | 21.14 | 4 |
| C1 | BB | 22.56 | 1 |
| C6 | OMe | 56.36 | 4 |
| C7 | OMe | 56.36 | 4 |
| C8 | OMe | 56.45 | 4 |
| C9 | OMe | 56.45 | 4 |
| C14 | G | 64.18 | 1 |
| C15 | BA | 72.68 | 1 |
| C27 | A | 76.62 | 1 |
| C26 | B | 81.44 | 1 |
| C10 | B2 | 103.92 | 1 |
| C11 | B6 | 103.92 | 1 |
| C12 | A2 | 104.78 | 1 |
| C13 | A6 | 104.78 | 1 |
| C28 | A4 | 129.42 | 1 |
| C21 | A1 | 136.61 | 1 |
| C20 | B1 | 136.96 | 1 |
| C29 | B4 | 138.68 | 1 |
| C24 | A3 | 152.94 | 1 |
| C25 | A5 | 152.94 | 1 |
| C22 | B3 | 153.69 | 1 |
| C23 | B5 | 153.69 | 1 |
| C19 | A4AcC=O | 168.37 | 1 |
| C18 | AAcC=O | 169.80 | 1 |
| C17 | BAAcC=O | 170.11 | 1 |
| C16 | GAcC=O | 170.56 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.06 | 4 |
| C3 | AcMe | 20.37 | 4 |
| C4 | AcMe | 20.62 | 4 |
| C5 | AcMe | 20.95 | 4 |
| C1 | BB | 22.02 | 1 |
| C6 | OMe | 55.78 | 4 |
| C7 | OMe | 55.78 | 4 |
| C8 | OMe | 55.98 | 4 |
| C9 | OMe | 55.98 | 4 |
| C14 | G | 63.22 | 1 |
| C15 | BA | 71.72 | 1 |
| C27 | A | 75.73 | 1 |
| C26 | B | 80.27 | 1 |
| C10 | B2 | 102.85 | 1 |
| C11 | B6 | 102.85 | 1 |
| C12 | A2 | 103.76 | 1 |
| C13 | A6 | 103.76 | 1 |
| C28 | A4 | 127.75 | 1 |
| C21 | A1 | 135.39 | 1 |
| C20 | B1 | 135.48 | 1 |
| C29 | B4 | 137.40 | 1 |
| C24 | A3 | 151.52 | 1 |
| C25 | A5 | 151.52 | 1 |
| C22 | B3 | 152.27 | 1 |
| C23 | B5 | 152.27 | 1 |
| C19 | A4AcC=O | 167.93 | 1 |
| C18 | AAcC=O | 169.27 | 1 |
| C17 | BAAcC=O | 169.56 | 1 |
| C16 | GAcC=O | 169.95 | 1 |