V-c-CA (C25 H28 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 456.48502
This is of the category: b-5 Dimers
Concentration: 102 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.78 | 4 |
| C2 | AcMe | 20.99 | 4 |
| C20 | B | 50.32 | 1 |
| C3 | OMe | 55.97 | 4 |
| C4 | OMe | 55.97 | 4 |
| C5 | OMe | 56.08 | 4 |
| C10 | BG | 65.19 | 1 |
| C14 | G | 65.35 | 1 |
| C24 | A | 88.61 | 1 |
| C13 | A2 | 109.39 | 1 |
| C12 | B2 | 110.81 | 1 |
| C9 | A5 | 111.21 | 1 |
| C11 | B6 | 115.35 | 1 |
| C8 | A6 | 118.78 | 1 |
| C6 | BB | 121.22 | 1 |
| C19 | B5 | 127.76 | 1 |
| C17 | B1 | 130.56 | 1 |
| C18 | A1 | 132.94 | 1 |
| C7 | BA | 134.35 | 1 |
| C23 | B3 | 144.45 | 1 |
| C25 | B4 | 148.35 | 1 |
| C22 | A3 | 149.30 | 1 |
| C21 | A4 | 149.30 | 1 |
| C15 | AcC=O | 170.73 | 1 |
| C16 | AcC=O | 170.73 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.70 | 4 |
| C2 | AcMe | 20.83 | 4 |
| C20 | B | 51.16 | 1 |
| C3 | OMe | 56.20 | 4 |
| C4 | OMe | 56.20 | 4 |
| C5 | OMe | 56.48 | 4 |
| C10 | BG | 65.52 | 1 |
| C14 | G | 65.96 | 1 |
| C24 | A | 88.84 | 1 |
| C13 | A2 | 110.95 | 1 |
| C12 | B2 | 112.29 | 1 |
| C9 | A5 | 112.77 | 1 |
| C11 | B6 | 116.35 | 1 |
| C8 | A6 | 119.35 | 1 |
| C6 | BB | 122.21 | 1 |
| C19 | B5 | 129.18 | 1 |
| C17 | B1 | 131.46 | 1 |
| C18 | A1 | 134.53 | 1 |
| C7 | BA | 134.75 | 1 |
| C23 | B3 | 145.40 | 1 |
| C25 | B4 | 149.40 | 1 |
| C22 | A3 | 150.48 | 1 |
| C21 | A4 | 150.55 | 1 |
| C15 | AcC=O | 170.79 | 4 |
| C16 | AcC=O | 170.94 | 4 |
| H34 | AcMe | 2.00 | 4 |
| H35 | AcMe | 2.00 | 4 |
| H36 | AcMe | 2.00 | 4 |
| H38 | AcMe | 2.02 | 4 |
| H39 | AcMe | 2.02 | 4 |
| H37 | AcMe | 2.02 | 4 |
| H42 | OMe | 3.79 | 4 |
| H41 | OMe | 3.79 | 4 |
| H40 | OMe | 3.79 | 4 |
| H45 | OMe | 3.80 | 4 |
| H44 | OMe | 3.80 | 4 |
| H43 | OMe | 3.80 | 4 |
| H46 | OMe | 3.88 | 4 |
| H47 | OMe | 3.88 | 4 |
| H48 | OMe | 3.88 | 4 |
| H58 | G1 | 4.38 | 1 |
| H59 | G2 | 4.43 | 1 |
| H53 | BG | 4.66 | 1 |
| H54 | BG | 4.66 | 1 |
| H61 | AA | 5.54 | 1 |
| H49 | BB | 6.23 | 1 |
| H50 | BA | 6.64 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.50 | 4 |
| C2 | AcMe | 20.67 | 4 |
| C20 | B | 49.36 | 1 |
| C3 | OMe | 55.53 | 4 |
| C4 | OMe | 55.53 | 4 |
| C5 | OMe | 55.75 | 4 |
| C10 | BG | 64.51 | 1 |
| C14 | G | 64.77 | 1 |
| C24 | A | 87.44 | 1 |
| C13 | A2 | 109.96 | 1 |
| C12 | B2 | 111.05 | 1 |
| C9 | A5 | 111.76 | 1 |
| C11 | B6 | 115.29 | 1 |
| C8 | A6 | 118.47 | 1 |
| C6 | BB | 121.34 | 1 |
| C19 | B5 | 128.06 | 1 |
| C17 | B1 | 130.03 | 1 |
| C18 | A1 | 132.88 | 1 |
| C7 | BA | 133.55 | 1 |
| C23 | B3 | 143.90 | 1 |
| C25 | B4 | 147.67 | 1 |
| C22 | A3 | 148.87 | 1 |
| C21 | A4 | 148.87 | 1 |
| C15 | AcC=O | 170.12 | 4 |
| C16 | AcC=O | 170.26 | 4 |