Dehydrodiveratraldehyde (C18 H18 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 330.33192
This is of the category: 5-5 Dimers
Concentration: 76 mg/ml (Source: John R. Obst)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 3OMe | 56.05 | 1 |
| C2 | 3OMe | 56.05 | 1 |
| C3 | 4OMe | 60.95 | 1 |
| C4 | 4OMe | 60.95 | 1 |
| C7 | 2 | 110.43 | 1 |
| C8 | 2 | 110.43 | 1 |
| C5 | 6 | 127.51 | 1 |
| C6 | 6 | 127.51 | 1 |
| C13 | 5 | 131.76 | 1 |
| C14 | 5 | 131.76 | 1 |
| C11 | 1 | 132.06 | 1 |
| C12 | 1 | 132.06 | 1 |
| C17 | 4 | 152.36 | 1 |
| C18 | 4 | 152.36 | 1 |
| C15 | 3 | 153.37 | 1 |
| C16 | 3 | 153.37 | 1 |
| C9 | A | 190.87 | 1 |
| C10 | A | 190.87 | 1 |
| H31 | 4OMe | 3.77 | 1 |
| H33 | 4OMe | 3.77 | 1 |
| H32 | 4OMe | 3.77 | 1 |
| H36 | 4OMe | 3.77 | 1 |
| H34 | 4OMe | 3.77 | 1 |
| H35 | 4OMe | 3.77 | 1 |
| H25 | 3OMe | 3.99 | 1 |
| H26 | 3OMe | 3.99 | 1 |
| H27 | 3OMe | 3.99 | 1 |
| H30 | 3OMe | 3.99 | 1 |
| H29 | 3OMe | 3.99 | 1 |
| H28 | 3OMe | 3.99 | 1 |
| H39 | 2 | 7.51 | 1 |
| H40 | 2 | 7.51 | 1 |
| H37 | 6 | 7.40 | 1 |
| H38 | 6 | 7.40 | 1 |
| H41 | A | 9.91 | 1 |
| H42 | A | 9.91 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 3OMe | 56.40 | 1 |
| C2 | 3OMe | 56.40 | 1 |
| C3 | 4OMe | 60.98 | 1 |
| C4 | 4OMe | 60.98 | 1 |
| C7 | 2 | 111.92 | 1 |
| C8 | 2 | 111.92 | 1 |
| C5 | 6 | 127.15 | 1 |
| C6 | 6 | 127.15 | 1 |
| C13 | 5 | 133.01 | 1 |
| C14 | 5 | 133.01 | 1 |
| C11 | 1 | 133.21 | 1 |
| C12 | 1 | 133.21 | 1 |
| C17 | 4 | 153.02 | 1 |
| C18 | 4 | 153.02 | 1 |
| C15 | 3 | 154.27 | 1 |
| C16 | 3 | 154.27 | 1 |
| C9 | A | 191.51 | 1 |
| C10 | A | 191.51 | 1 |
| H31 | 4OMe | 3.75 | 1 |
| H33 | 4OMe | 3.75 | 1 |
| H32 | 4OMe | 3.75 | 1 |
| H36 | 4OMe | 3.75 | 1 |
| H34 | 4OMe | 3.75 | 1 |
| H35 | 4OMe | 3.75 | 1 |
| H25 | 3OMe | 4.01 | 1 |
| H26 | 3OMe | 4.01 | 1 |
| H27 | 3OMe | 4.01 | 1 |
| H30 | 3OMe | 4.01 | 1 |
| H29 | 3OMe | 4.01 | 1 |
| H28 | 3OMe | 4.01 | 1 |
| H39 | 2 | 7.58 | 1 |
| H40 | 2 | 7.58 | 1 |
| H37 | 6 | 7.44 | 1 |
| H38 | 6 | 7.44 | 1 |
| H41 | A | 9.96 | 1 |
| H42 | A | 9.96 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | 3OMe | 55.94 | 1 |
| C2 | 3OMe | 55.94 | 1 |
| C3 | 4OMe | 60.36 | 1 |
| C4 | 4OMe | 60.36 | 1 |
| C7 | 2 | 111.39 | 1 |
| C8 | 2 | 111.39 | 1 |
| C5 | 6 | 125.97 | 1 |
| C6 | 6 | 125.97 | 1 |
| C13 | 5 | 131.52 | 1 |
| C14 | 5 | 131.52 | 1 |
| C11 | 1 | 131.76 | 1 |
| C12 | 1 | 131.76 | 1 |
| C17 | 4 | 151.50 | 1 |
| C18 | 4 | 151.50 | 1 |
| C15 | 3 | 152.82 | 1 |
| C16 | 3 | 152.82 | 1 |
| C9 | A | 191.60 | 1 |
| C10 | A | 191.60 | 1 |