Acetylated P-gluco Cinnamic Acid (C23 H26 O12)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 494.44534
This is of the category: Misc. Compounds
Concentration: 44 mg/ml (Source: Noritsugu Terashima)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.58 | 1 |
| C2 | AcMe | 20.58 | 1 |
| C3 | AcMe | 20.58 | 1 |
| C4 | AcMe | 20.58 | 1 |
| C11 | B6 | 61.97 | 1 |
| C20 | B4 | 68.29 | 1 |
| C22 | B2 | 71.17 | 1 |
| C18 | B5 | 72.23 | 1 |
| C21 | B3 | 72.68 | 1 |
| C23 | B1 | 98.55 | 1 |
| C8 | A3 | 117.18 | 1 |
| C9 | A5 | 117.18 | 1 |
| C10 | B | 116.31 | 1 |
| C16 | A1 | 129.38 | 1 |
| C5 | A2 | 129.90 | 1 |
| C6 | A6 | 129.90 | 1 |
| C7 | A | 145.76 | 1 |
| C17 | 4 | 158.52 | 1 |
| C19 | G | 169.25 | 1 |
| C12 | AcC=O | 169.39 | 4 |
| C13 | AcC=O | 170.20 | 4 |
| C14 | AcC=O | 170.51 | 4 |
| C15 | AcC=O | 171.26 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.22 | 4 |
| C2 | AcMe | 20.22 | 4 |
| C3 | AcMe | 20.28 | 4 |
| C4 | AcMe | 20.37 | 4 |
| C11 | B6 | 61.52 | 1 |
| C20 | B4 | 67.96 | 1 |
| C22 | B2 | 70.60 | 1 |
| C18 | B5 | 70.84 | 1 |
| C21 | B3 | 71.86 | 1 |
| C23 | B1 | 96.67 | 1 |
| C8 | A3 | 116.48 | 1 |
| C9 | A5 | 116.48 | 1 |
| C10 | B | 117.80 | 1 |
| C16 | A1 | 128.98 | 1 |
| C5 | A2 | 129.76 | 1 |
| C6 | A6 | 129.76 | 1 |
| C7 | A | 143.05 | 1 |
| C17 | 4 | 157.60 | 1 |
| C19 | G | 167.50 | 1 |
| C12 | AcC=O | 168.95 | 4 |
| C13 | AcC=O | 169.17 | 4 |
| C14 | AcC=O | 169.44 | 4 |
| C15 | AcC=O | 169.82 | 4 |
| H53 | B | 6.44 | 1 |
| H51 | A3 | 7.13 | 1 |
| H52 | A5 | 7.13 | 1 |
| H50 | A | 7.64 | 1 |
| H48 | A2 | 7.68 | 1 |
| H49 | A6 | 7.68 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.08 | 4 |
| C2 | AcMe | 20.83 | 4 |
| C3 | AcMe | 55.55 | 4 |
| C4 | AcMe | 56.21 | 4 |
| C11 | B6 | 56.21 | 1 |
| C20 | B4 | 63.82 | 1 |
| C22 | B2 | 78.23 | 1 |
| C18 | B5 | 105.47 | 1 |
| C21 | B3 | 105.47 | 1 |
| C23 | B1 | 112.95 | 1 |
| C8 | A3 | 116.01 | 1 |
| C9 | A5 | 117.39 | 1 |
| C10 | B | 120.63 | 1 |
| C16 | A1 | 122.38 | 1 |
| C5 | A2 | 122.38 | 1 |
| C6 | A6 | 122.55 | 1 |
| C7 | A | 129.69 | 1 |
| C17 | 4 | 129.69 | 1 |
| C19 | G | 131.49 | 1 |
| C12 | AcC=O | 132.49 | 4 |
| C13 | AcC=O | 132.55 | 4 |
| C14 | AcC=O | 144.28 | 4 |
| C15 | AcC=O | 146.32 | 4 |