1,2-diguaiacylpropane-1,3-diol (C17 H20 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 320.3371
This is of the category: b-1 Dimers
Concentration: 30 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C12 | B | 55.60 | 1 |
| C1 | OMe | 55.90 | 1 |
| C2 | OMe | 55.90 | 1 |
| C9 | G | 64.25 | 1 |
| C17 | A | 75.78 | 1 |
| C8 | A2 | 109.06 | 1 |
| C7 | B2 | 111.80 | 1 |
| C6 | A5 | 113.98 | 1 |
| C5 | B5 | 114.58 | 1 |
| C4 | A6 | 119.70 | 1 |
| C3 | B6 | 121.54 | 1 |
| C10 | B1 | 130.29 | 1 |
| C11 | A1 | 133.99 | 1 |
| C13 | B4 | 144.97 | 1 |
| C14 | A4 | 145.32 | 1 |
| C15 | B3 | 146.53 | 1 |
| C16 | A3 | 146.63 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C12 | B | 56.46 | 1 |
| C1 | OMe | 56.05 | 4 |
| C2 | OMe | 56.15 | 4 |
| C9 | G | 64.42 | 1 |
| C17 | A | 74.86 | 1 |
| C8 | A2 | 111.18 | 1 |
| C7 | B2 | 114.18 | 1 |
| C6 | A5 | 114.82 | 1 |
| C5 | B5 | 115.01 | 1 |
| C4 | A6 | 119.92 | 1 |
| C3 | B6 | 123.00 | 1 |
| C10 | B1 | 132.17 | 1 |
| C11 | A1 | 136.59 | 1 |
| C13 | B4 | 145.91 | 1 |
| C14 | A4 | 146.12 | 1 |
| C15 | B3 | 147.54 | 1 |
| C16 | A3 | 147.60 | 1 |
| H25 | OMe | 3.67 | 4 |
| H26 | OMe | 3.67 | 4 |
| H24 | OMe | 3.67 | 4 |
| H29 | OMe | 3.72 | 4 |
| H27 | OMe | 3.72 | 4 |
| H28 | OMe | 3.72 | 4 |
| H38 | B | 2.94 | 1 |
| H39 | A | 5.02 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C12 | B | 54.69 | 1 |
| C1 | OMe | 54.87 | 4 |
| C2 | OMe | 55.06 | 4 |
| C9 | G | 62.20 | 1 |
| C17 | A | 71.96 | 1 |
| C8 | A2 | 110.27 | 1 |
| C7 | B2 | 113.46 | 1 |
| C6 | A5 | 113.98 | 1 |
| C5 | B5 | 114.03 | 1 |
| C4 | A6 | 118.13 | 1 |
| C3 | B6 | 121.32 | 1 |
| C10 | B1 | 130.96 | 1 |
| C11 | A1 | 135.49 | 1 |
| C13 | B4 | 144.13 | 1 |
| C14 | A4 | 144.36 | 1 |
| C15 | B3 | 146.05 | 1 |
| C16 | A3 | 146.24 | 1 |