G-b-SA Acetate (C29 H34 O12)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 574.57306
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: 32 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.72 | 4 |
| C2 | AcMe | 20.81 | 4 |
| C3 | AcMe | 21.06 | 4 |
| C4 | AcMe | 21.02 | 4 |
| C5 | OMe | 55.99 | 4 |
| C6 | OMe | 56.07 | 4 |
| C7 | OMe | 56.07 | 4 |
| C16 | G | 62.74 | 1 |
| C12 | BG | 65.00 | 1 |
| C28 | A | 74.09 | 1 |
| C27 | B | 81.03 | 1 |
| C13 | B2 | 103.76 | 1 |
| C14 | B6 | 103.76 | 1 |
| C15 | A2 | 111.56 | 1 |
| C10 | A6 | 119.24 | 1 |
| C11 | A5 | 122.51 | 1 |
| C8 | BB | 122.97 | 1 |
| C21 | B1 | 132.46 | 1 |
| C9 | BA | 134.16 | 1 |
| C22 | A1 | 135.38 | 1 |
| C29 | B4 | 136.11 | 1 |
| C23 | A4 | 139.56 | 1 |
| C24 | A3 | 150.91 | 1 |
| C25 | B3 | 153.29 | 1 |
| C26 | B5 | 153.29 | 1 |
| C17 | AcC=O | 168.92 | 4 |
| C18 | AcC=O | 169.55 | 4 |
| C19 | AcC=O | 170.88 | 4 |
| C20 | AcC=O | 170.88 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.49 | 4 |
| C2 | AcMe | 20.61 | 4 |
| C3 | AcMe | 20.81 | 4 |
| C4 | AcMe | 20.94 | 4 |
| C5 | OMe | 56.31 | 4 |
| C6 | OMe | 56.44 | 4 |
| C7 | OMe | 56.44 | 4 |
| C16 | G | 63.24 | 1 |
| C12 | BG | 65.26 | 1 |
| C28 | A | 75.07 | 1 |
| C27 | B | 81.57 | 1 |
| C13 | B2 | 104.71 | 1 |
| C14 | B6 | 104.71 | 1 |
| C15 | A2 | 111.46 | 1 |
| C10 | A6 | 119.94 | 1 |
| C11 | A5 | 123.34 | 1 |
| C8 | BB | 124.14 | 1 |
| C21 | B1 | 133.39 | 1 |
| C9 | BA | 134.40 | 1 |
| C22 | A1 | 136.46 | 1 |
| C29 | B4 | 137.14 | 1 |
| C23 | A4 | 140.60 | 1 |
| C24 | A3 | 152.10 | 1 |
| C25 | B3 | 154.23 | 1 |
| C26 | B5 | 154.23 | 1 |
| C17 | AcC=O | 168.94 | 4 |
| C18 | AcC=O | 169.92 | 4 |
| C19 | AcC=O | 170.66 | 4 |
| C20 | AcC=O | 170.66 | 4 |
| H54 | OMe | 3.84 | 1 |
| H55 | OMe | 3.84 | 1 |
| H56 | OMe | 3.84 | 1 |
| H57 | OMe | 3.84 | 1 |
| H59 | OMe | 3.84 | 1 |
| H58 | OMe | 3.84 | 1 |
| H60 | OMe | 3.84 | 1 |
| H62 | OMe | 3.84 | 1 |
| H61 | OMe | 3.84 | 1 |
| H72 | G1 | 4.42 | 1 |
| H73 | G2 | 4.18 | 1 |
| H67 | BG | 4.69 | 1 |
| H68 | BG | 4.69 | 1 |
| H75 | A | 6.08 | 1 |
| H69 | B2 | 6.80 | 1 |
| H70 | B6 | 6.80 | 1 |
| H63 | BB | 6.33 | 1 |
| H64 | BA | 6.64 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.35 | 4 |
| C2 | AcMe | 20.35 | 4 |
| C3 | AcMe | 20.70 | 4 |
| C4 | AcMe | 20.70 | 4 |
| C5 | OMe | 55.73 | 4 |
| C6 | OMe | 55.82 | 4 |
| C7 | OMe | 55.82 | 4 |
| C16 | G | 62.05 | 1 |
| C12 | BG | 64.24 | 1 |
| C28 | A | 73.67 | 1 |
| C27 | B | 80.04 | 1 |
| C13 | B2 | 103.62 | 1 |
| C14 | B6 | 103.62 | 1 |
| C15 | A2 | 110.92 | 1 |
| C10 | A6 | 118.72 | 1 |
| C11 | A5 | 122.58 | 1 |
| C8 | BB | 123.43 | 1 |
| C21 | B1 | 132.02 | 1 |
| C9 | BA | 133.02 | 1 |
| C22 | A1 | 134.36 | 1 |
| C29 | B4 | 135.66 | 1 |
| C23 | A4 | 138.88 | 1 |
| C24 | A3 | 150.59 | 1 |
| C25 | B3 | 152.69 | 1 |
| C26 | B5 | 152.69 | 1 |
| C17 | AcC=O | 168.45 | 4 |
| C18 | AcC=O | 169.33 | 4 |
| C19 | AcC=O | 169.95 | 4 |
| C20 | AcC=O | 170.10 | 4 |