Coniferin Acetate (C26 H32 O13)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 552.52448
This is of the category: Misc. Compounds
Concentration: 100 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.60 | 4 |
| C2 | AcMe | 20.60 | 4 |
| C3 | AcMe | 20.60 | 4 |
| C4 | AcMe | 20.66 | 4 |
| C5 | AcMe | 20.95 | 4 |
| C6 | OMe | 56.07 | 1 |
| C13 | B6 | 61.97 | 1 |
| C11 | G | 64.93 | 1 |
| C23 | B4 | 68.46 | 1 |
| C25 | B2 | 71.24 | 1 |
| C22 | B5 | 72.02 | 1 |
| C24 | B3 | 72.61 | 1 |
| C20 | B1 | 100.67 | 1 |
| C12 | A2 | 110.58 | 1 |
| C10 | A5 | 119.57 | 1 |
| C9 | A6 | 119.93 | 1 |
| C7 | B | 122.83 | 1 |
| C19 | A1 | 133.02 | 1 |
| C8 | A | 133.58 | 1 |
| C20 | A4 | 146.09 | 1 |
| C21 | A3 | 150.69 | 1 |
| C14 | AcC=O | 169.26 | 4 |
| C15 | AcC=O | 169.36 | 4 |
| C16 | AcC=O | 170.15 | 4 |
| C17 | AcC=O | 170.47 | 4 |
| C18 | AcC=O | 170.71 | 4 |
| H41 | AcMe | 2.03 | 4 |
| H42 | AcMe | 2.03 | 4 |
| H40 | AcMe | 2.03 | 4 |
| H45 | AcMe | 2.03 | 4 |
| H44 | AcMe | 2.03 | 4 |
| H43 | AcMe | 2.03 | 4 |
| H48 | AcMe | 2.07 | 4 |
| H47 | AcMe | 2.07 | 4 |
| H46 | AcMe | 2.07 | 4 |
| H50 | AcMe | 2.07 | 4 |
| H49 | AcMe | 2.07 | 4 |
| H51 | AcMe | 2.07 | 4 |
| H54 | AcMe | 2.09 | 4 |
| H52 | AcMe | 2.09 | 4 |
| H53 | AcMe | 2.09 | 4 |
| H56 | OMe | 3.80 | 1 |
| H55 | OMe | 3.80 | 1 |
| H57 | OMe | 3.80 | 1 |
| H62 | G | 4.70 | 1 |
| H63 | G | 4.70 | 1 |
| H58 | B | 6.20 | 1 |
| H59 | A | 6.59 | 1 |
| H60 | A6 | 6.89 | 1 |
| H64 | A2 | 6.94 | 1 |
| H61 | A5 | 7.07 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.51 | 4 |
| C2 | AcMe | 20.59 | 4 |
| C3 | AcMe | 20.59 | 4 |
| C4 | AcMe | 20.59 | 4 |
| C5 | AcMe | 20.78 | 4 |
| C6 | OMe | 56.47 | 1 |
| C13 | B6 | 62.69 | 1 |
| C11 | G | 65.23 | 1 |
| C23 | B4 | 69.33 | 1 |
| C25 | B2 | 71.96 | 1 |
| C22 | B5 | 72.56 | 1 |
| C24 | B3 | 73.23 | 1 |
| C20 | B1 | 100.79 | 1 |
| C12 | A2 | 111.55 | 1 |
| C10 | A5 | 119.77 | 1 |
| C9 | A6 | 120.26 | 1 |
| C7 | B | 123.86 | 1 |
| C19 | A1 | 133.63 | 1 |
| C8 | A | 133.82 | 1 |
| C20 | A4 | 147.19 | 1 |
| C21 | A3 | 151.44 | 1 |
| C14 | AcC=O | 169.58 | 4 |
| C15 | AcC=O | 169.96 | 4 |
| C16 | AcC=O | 170.22 | 4 |
| C17 | AcC=O | 170.58 | 4 |
| C18 | AcC=O | 170.69 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.23 | 4 |
| C2 | AcMe | 20.28 | 4 |
| C3 | AcMe | 20.30 | 4 |
| C4 | AcMe | 20.41 | 4 |
| C5 | AcMe | 20.65 | 4 |
| C6 | OMe | 55.90 | 1 |
| C13 | B6 | 61.66 | 1 |
| C11 | G | 64.32 | 1 |
| C23 | B4 | 68.15 | 1 |
| C25 | B2 | 70.77 | 1 |
| C22 | B5 | 70.86 | 1 |
| C24 | B3 | 71.92 | 1 |
| C20 | B1 | 98.76 | 1 |
| C12 | A2 | 110.61 | 1 |
| C10 | A5 | 118.05 | 1 |
| C9 | A6 | 119.34 | 1 |
| C7 | B | 123.02 | 1 |
| C19 | A1 | 132.14 | 1 |
| C8 | A | 132.67 | 1 |
| C20 | A4 | 145.66 | 1 |
| C21 | A3 | 149.91 | 1 |
| C14 | AcC=O | 168.91 | 4 |
| C15 | AcC=O | 169.24 | 4 |
| C16 | AcC=O | 169.49 | 4 |
| C17 | AcC=O | 169.90 | 4 |
| C18 | AcC=O | 170.07 | 4 |