S-b-CA (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: 30 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.54 | 4 |
| C2 | AcMe | 20.86 | 4 |
| C3 | AcMe | 21.12 | 4 |
| C4 | AcMe | 21.12 | 4 |
| C5 | OMe | 55.91 | 4 |
| C6 | OMe | 56.29 | 4 |
| C7 | OMe | 56.29 | 4 |
| C16 | G | 62.73 | 1 |
| C12 | BG | 56.15 | 1 |
| C28 | A | 74.05 | 1 |
| C27 | B | 80.21 | 1 |
| C14 | A2 | 104.52 | 1 |
| C15 | A6 | 104.52 | 1 |
| C13 | B2 | 110.41 | 1 |
| C11 | B5 | 119.04 | 1 |
| C10 | B6 | 119.89 | 1 |
| C8 | BB | 122.36 | 1 |
| C29 | A4 | 128.85 | 1 |
| C21 | B1 | 131.93 | 1 |
| C9 | BA | 133.90 | 1 |
| C22 | A1 | 134.82 | 1 |
| C23 | B4 | 147.37 | 1 |
| C24 | B3 | 151.06 | 1 |
| C25 | A3 | 152.13 | 1 |
| C26 | A5 | 152.13 | 1 |
| C17 | AcC=O | 168.59 | 4 |
| C18 | AcC=O | 169.55 | 4 |
| C19 | AcC=O | 170.84 | 4 |
| C20 | AcC=O | 170.90 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.25 | 4 |
| C2 | AcMe | 20.64 | 4 |
| C3 | AcMe | 20.80 | 4 |
| C4 | AcMe | 20.89 | 4 |
| C5 | OMe | 56.29 | 4 |
| C6 | OMe | 56.54 | 4 |
| C7 | OMe | 56.54 | 4 |
| C16 | G | 63.09 | 1 |
| C12 | BG | 65.36 | 1 |
| C28 | A | 74.78 | 1 |
| C27 | B | 80.17 | 1 |
| C14 | A2 | 105.14 | 1 |
| C15 | A6 | 105.14 | 1 |
| C13 | B2 | 111.40 | 1 |
| C11 | B5 | 119.16 | 1 |
| C10 | B6 | 120.49 | 1 |
| C8 | BB | 123.52 | 1 |
| C29 | A4 | 129.61 | 1 |
| C21 | B1 | 132.56 | 1 |
| C9 | BA | 134.13 | 1 |
| C22 | A1 | 136.11 | 1 |
| C23 | B4 | 148.33 | 1 |
| C24 | B3 | 151.92 | 1 |
| C25 | A3 | 153.06 | 1 |
| C26 | A5 | 153.06 | 1 |
| C17 | AcC=O | 168.46 | 4 |
| C18 | AcC=O | 169.89 | 4 |
| C19 | AcC=O | 170.75 | 4 |
| C20 | AcC=O | 170.75 | 4 |
| H55 | OMe | 3.86 | 4 |
| H54 | OMe | 3.86 | 4 |
| H56 | OMe | 3.86 | 4 |
| H59 | OMe | 3.81 | 4 |
| H58 | OMe | 3.81 | 4 |
| H57 | OMe | 3.81 | 4 |
| H62 | OMe | 3.81 | 4 |
| H61 | OMe | 3.81 | 4 |
| H60 | OMe | 3.81 | 4 |
| H72 | G1 | 4.38 | 1 |
| H73 | G2 | 4.26 | 1 |
| H67 | BG | 4.68 | 1 |
| H68 | BG | 4.68 | 1 |
| H74 | B | 4.89 | 1 |
| H75 | A | 6.05 | 1 |
| H63 | BB | 6.30 | 1 |
| H64 | BA | 6.63 | 1 |
| H70 | A2 | 6.87 | 1 |
| H71 | A6 | 6.87 | 1 |
| H69 | B2 | 7.15 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.04 | 4 |
| C2 | AcMe | 20.38 | 4 |
| C3 | AcMe | 20.63 | 4 |
| C4 | AcMe | 20.63 | 4 |
| C5 | OMe | 55.61 | 4 |
| C6 | OMe | 55.90 | 4 |
| C7 | OMe | 55.90 | 4 |
| C16 | G | 61.88 | 1 |
| C12 | BG | 64.31 | 1 |
| C28 | A | 73.20 | 1 |
| C27 | B | 78.01 | 1 |
| C14 | A2 | 103.94 | 1 |
| C15 | A6 | 103.94 | 1 |
| C13 | B2 | 110.26 | 1 |
| C11 | B5 | 117.14 | 1 |
| C10 | B6 | 119.43 | 1 |
| C8 | BB | 122.30 | 1 |
| C29 | A4 | 127.66 | 1 |
| C21 | B1 | 130.71 | 1 |
| C9 | BA | 132.84 | 1 |
| C22 | A1 | 134.78 | 1 |
| C23 | B4 | 146.56 | 1 |
| C24 | B3 | 150.11 | 1 |
| C25 | A3 | 151.38 | 1 |
| C26 | A5 | 151.38 | 1 |
| C17 | AcC=O | 167.90 | 4 |
| C18 | AcC=O | 169.18 | 4 |
| C19 | AcC=O | 169.96 | 4 |
| C20 | AcC=O | 170.03 | 4 |