Syringin Acetate (C27 H34 O14)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 582.55046
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 | 20.68 | 4 |
| C3 | AcMe | 20.68 | 4 |
| C4 | AcMe | 20.68 | 4 |
| C5 | AcMe | 20.95 | 4 |
| C6 | OMe | 56.32 | 1 |
| C7 | OMe | 56.32 | 1 |
| C13 | B6 | 62.35 | 1 |
| C10 | G | 64.84 | 1 |
| C24 | B4 | 68.56 | 1 |
| C26 | B2 | 71.99 | 1 |
| C22 | B5 | 72.08 | 1 |
| C25 | B3 | 73.11 | 1 |
| C27 | B1 | 101.21 | 1 |
| C11 | A2 | 104.09 | 1 |
| C12 | A6 | 104.09 | 1 |
| C8 | B | 123.30 | 1 |
| C19 | A1 | 133.11 | 1 |
| C9 | A | 133.86 | 1 |
| C23 | A4 | 134.56 | 1 |
| C20 | A3 | 153.07 | 1 |
| C21 | A5 | 153.07 | 1 |
| C14 | AcC=O | 169.25 | 4 |
| C15 | AcC=O | 169.41 | 4 |
| C16 | AcC=O | 170.31 | 4 |
| C17 | AcC=O | 170.51 | 4 |
| C18 | AcC=O | 170.75 | 4 |
| H43 | AcMe | 2.03 | 4 |
| H42 | AcMe | 2.03 | 4 |
| H44 | AcMe | 2.03 | 4 |
| H46 | AcMe | 2.03 | 4 |
| H45 | AcMe | 2.03 | 4 |
| H47 | AcMe | 2.03 | 4 |
| H49 | AcMe | 2.03 | 4 |
| H50 | AcMe | 2.03 | 4 |
| H48 | AcMe | 2.03 | 4 |
| H51 | AcMe | 2.03 | 4 |
| H52 | AcMe | 2.03 | 4 |
| H53 | AcMe | 2.03 | 4 |
| H56 | AcMe | 2.09 | 4 |
| H54 | AcMe | 2.09 | 4 |
| H55 | AcMe | 2.09 | 4 |
| H57 | OMe | 3.84 | 1 |
| H59 | OMe | 3.84 | 1 |
| H58 | OMe | 3.84 | 1 |
| H61 | OMe | 3.84 | 1 |
| H62 | OMe | 3.84 | 1 |
| H60 | OMe | 3.84 | 1 |
| H65 | G | 4.71 | 1 |
| H66 | G | 4.71 | 1 |
| H63 | B | 6.22 | 1 |
| H64 | A | 6.57 | 1 |
| H67 | A2 | 6.61 | 1 |
| H68 | A6 | 6.61 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.56 | 4 |
| C2 | AcMe | 20.56 | 4 |
| C3 | AcMe | 20.56 | 4 |
| C4 | AcMe | 20.67 | 4 |
| C5 | AcMe | 20.77 | 4 |
| C6 | OMe | 56.69 | 1 |
| C7 | OMe | 56.69 | 1 |
| C13 | B6 | 62.91 | 1 |
| C10 | G | 65.14 | 1 |
| C24 | B4 | 69.47 | 1 |
| C26 | B2 | 72.51 | 1 |
| C22 | B5 | 72.81 | 1 |
| C25 | B3 | 73.61 | 1 |
| C27 | B1 | 101.69 | 1 |
| C11 | A2 | 105.10 | 1 |
| C12 | A6 | 105.10 | 1 |
| C8 | B | 124.38 | 1 |
| C19 | A1 | 134.02 | 1 |
| C9 | A | 134.11 | 1 |
| C23 | A4 | 135.38 | 1 |
| C20 | A3 | 154.06 | 1 |
| C21 | A5 | 154.06 | 1 |
| C14 | AcC=O | 169.59 | 4 |
| C15 | AcC=O | 169.94 | 4 |
| C16 | AcC=O | 170.24 | 4 |
| C17 | AcC=O | 170.48 | 4 |
| C18 | AcC=O | 170.64 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.25 | 4 |
| C2 | AcMe | 20.36 | 4 |
| C3 | AcMe | 20.36 | 4 |
| C4 | AcMe | 20.36 | 4 |
| C5 | AcMe | 20.64 | 4 |
| C6 | OMe | 56.13 | 1 |
| C7 | OMe | 56.13 | 1 |
| C13 | B6 | 61.82 | 1 |
| C10 | G | 64.19 | 1 |
| C24 | B4 | 68.26 | 1 |
| C26 | B2 | 70.73 | 1 |
| C22 | B5 | 71.54 | 1 |
| C25 | B3 | 72.14 | 1 |
| C27 | B1 | 100.48 | 1 |
| C11 | A2 | 104.09 | 1 |
| C12 | A6 | 104.09 | 1 |
| C8 | B | 123.74 | 1 |
| C19 | A1 | 132.79 | 1 |
| C9 | A | 132.79 | 1 |
| C23 | A4 | 133.87 | 1 |
| C20 | A3 | 152.68 | 1 |
| C21 | A5 | 152.68 | 1 |
| C14 | AcC=O | 168.94 | 4 |
| C15 | AcC=O | 169.24 | 4 |
| C16 | AcC=O | 169.48 | 4 |
| C17 | AcC=O | 169.81 | 4 |
| C18 | AcC=O | 170.04 | 4 |