3-(4-Acetoxy-3-methoxyphenyl)acrylic Acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl Ester (C33 H34 O12)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 622.61586
This is of the category: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid
Concentration: Saturated (Source: Richard F. Helm)
Spectrometer: Bruker WM - 250 MHz
![3-(4-Acetoxy-3-methoxyphenyl)acrylic Acid 4-[1,3-diacetoxy-2-(2-methoxyphenoxy)propyl]phenyl Ester image](/ftp/pub/bmrb/metabolomics/entry_directories/bmse010245/bmse010245.png)
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.62 | 4 |
| C2 | AcMe | 20.76 | 4 |
| C3 | AcMe | 21.01 | 4 |
| C4 | OMe | 55.81 | 4 |
| C5 | OMe | 55.94 | 4 |
| C6 | OMe | 56.00 | 4 |
| C19 | G | 62.59 | 1 |
| C33 | A | 73.84 | 1 |
| C31 | B | 80.22 | 1 |
| C17 | C2 | 111.41 | 1 |
| C18 | A2 | 112.04 | 1 |
| C9 | B2 | 112.68 | 1 |
| C16 | CB | 117.16 | 1 |
| C10 | B5 | 119.55 | 1 |
| C13 | A6 | 119.75 | 1 |
| C8 | B6 | 121.01 | 1 |
| C11 | C6 | 121.54 | 1 |
| C15 | A5 | 122.67 | 1 |
| C7 | B1 | 123.33 | 1 |
| C14 | C5 | 123.63 | 1 |
| C23 | C1 | 133.17 | 1 |
| C24 | A1 | 135.48 | 1 |
| C28 | A4 | 139.77 | 1 |
| C27 | C4 | 141.78 | 1 |
| C12 | CA | 145.85 | 1 |
| C26 | B4 | 147.18 | 1 |
| C25 | B3 | 151.10 | 1 |
| C30 | A3 | 151.14 | 1 |
| C39 | C3 | 151.49 | 1 |
| C32 | CG | 164.57 | 1 |
| C20 | AcC=O | 168.64 | 4 |
| C21 | AcC=O | 169.50 | 4 |
| C22 | AcC=O | 170.74 | 4 |
| H46 | AcMe | 2.03 | 4 |
| H47 | AcMe | 2.03 | 4 |
| H48 | AcMe | 2.03 | 4 |
| H49 | AcMe | 2.10 | 4 |
| H50 | AcMe | 2.10 | 4 |
| H51 | AcMe | 2.10 | 4 |
| H52 | AcMe | 2.32 | 4 |
| H53 | AcMe | 2.32 | 4 |
| H54 | AcMe | 2.32 | 4 |
| H55 | OMe | 3.79 | 4 |
| H56 | OMe | 3.79 | 4 |
| H57 | OMe | 3.79 | 4 |
| H58 | OMe | 3.82 | 4 |
| H59 | OMe | 3.82 | 4 |
| H60 | OMe | 3.82 | 4 |
| H61 | OMe | 3.86 | 4 |
| H62 | OMe | 3.86 | 4 |
| H63 | OMe | 3.86 | 4 |
| H76 | G1 | 4.27 | 1 |
| H77 | G2 | 4.47 | 1 |
| H78 | B | 4.69 | 1 |
| H79 | A | 6.11 | 1 |
| H73 | CB | 6.60 | 1 |
| H69 | CA | 7.80 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.47 | 4 |
| C2 | AcMe | 20.61 | 4 |
| C3 | AcMe | 20.87 | 4 |
| C4 | OMe | 56.21 | 4 |
| C5 | OMe | 56.28 | 4 |
| C6 | OMe | 56.44 | 4 |
| C19 | G | 63.00 | 4 |
| C33 | A | 74.61 | 1 |
| C31 | B | 80.32 | 1 |
| C17 | C2 | 112.60 | 1 |
| C18 | A2 | 112.79 | 1 |
| C9 | B2 | 113.81 | 1 |
| C16 | CB | 118.04 | 1 |
| C10 | B5 | 119.82 | 1 |
| C13 | A6 | 120.45 | 1 |
| C8 | B6 | 121.63 | 1 |
| C11 | C6 | 122.47 | 1 |
| C15 | A5 | 123.42 | 1 |
| C7 | B1 | 124.04 | 1 |
| C14 | C5 | 124.16 | 1 |
| C23 | C1 | 134.02 | 1 |
| C24 | A1 | 136.73 | 1 |
| C28 | A4 | 140.70 | 1 |
| C27 | C4 | 142.96 | 1 |
| C12 | CA | 146.39 | 1 |
| C26 | B4 | 148.26 | 1 |
| C25 | B3 | 152.04 | 1 |
| C30 | A3 | 152.17 | 1 |
| C39 | C3 | 152.73 | 1 |
| C32 | CG | 164.96 | 1 |
| C20 | AcC=O | 168.74 | 4 |
| C21 | AcC=O | 169.86 | 4 |
| C22 | AcC=O | 170.70 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.31 | 4 |
| C2 | AcMe | 20.37 | 4 |
| C3 | AcMe | 20.60 | 4 |
| C4 | OMe | 55.58 | 4 |
| C5 | OMe | 55.72 | 4 |
| C6 | OMe | 55.98 | 4 |
| C19 | G | 61.89 | 4 |
| C33 | A | 73.17 | 1 |
| C31 | B | 78.40 | 1 |
| C17 | C2 | 111.69 | 1 |
| C18 | A2 | 112.13 | 1 |
| C9 | B2 | 112.90 | 1 |
| C16 | CB | 117.09 | 1 |
| C10 | B5 | 117.96 | 1 |
| C13 | A6 | 119.36 | 1 |
| C8 | B6 | 120.64 | 1 |
| C11 | C6 | 121.90 | 1 |
| C15 | A5 | 122.54 | 1 |
| C7 | B1 | 122.87 | 1 |
| C14 | C5 | 123.18 | 1 |
| C23 | C1 | 132.77 | 1 |
| C24 | A1 | 135.40 | 1 |
| C28 | A4 | 139.03 | 1 |
| C27 | C4 | 141.30 | 1 |
| C12 | CA | 145.79 | 1 |
| C26 | B4 | 146.63 | 1 |
| C25 | B3 | 150.32 | 1 |
| C30 | A3 | 150.63 | 1 |
| C39 | C3 | 151.17 | 1 |
| C32 | CG | 164.22 | 1 |
| C20 | AcC=O | 168.21 | 4 |
| C21 | AcC=O | 169.20 | 4 |
| C22 | AcC=O | 169.96 | 4 |