H-b-S (C27 H32 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 532.53638
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: 36 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.78 | 4 |
| C3 | AcMe | 20.12 | 4 |
| C4 | AcMe | 21.19 | 4 |
| C5 | AcMe | 21.44 | 4 |
| C1 | BB | 22.26 | 1 |
| C6 | OMe | 56.08 | 1 |
| C7 | OMe | 56.08 | 1 |
| C14 | G | 62.66 | 1 |
| C15 | BA | 72.38 | 1 |
| C26 | A | 73.94 | 1 |
| C25 | B | 80.88 | 1 |
| C12 | B2 | 103.29 | 1 |
| C13 | B6 | 103.29 | 1 |
| C10 | A3 | 121.36 | 1 |
| C11 | A5 | 121.36 | 1 |
| C8 | A2 | 128.06 | 1 |
| C9 | A6 | 128.06 | 1 |
| C20 | A1 | 134.69 | 1 |
| C27 | B4 | 134.96 | 1 |
| C21 | B1 | 137.91 | 1 |
| C22 | A4 | 150.37 | 1 |
| C23 | B3 | 153.22 | 1 |
| C24 | B5 | 153.22 | 1 |
| C18 | A4AcC=O | 169.36 | 1 |
| C19 | AAAcC=O | 169.62 | 1 |
| C17 | BAAcC=O | 170.29 | 1 |
| C16 | AGAcC=O | 170.29 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.55 | 4 |
| C3 | AcMe | 20.95 | 4 |
| C4 | AcMe | 20.95 | 4 |
| C5 | AcMe | 21.16 | 4 |
| C1 | BB | 22.60 | 1 |
| C6 | OMe | 56.38 | 1 |
| C7 | OMe | 56.38 | 1 |
| C14 | G | 63.19 | 1 |
| C15 | BA | 72.68 | 1 |
| C26 | A | 74.90 | 1 |
| C25 | B | 81.26 | 1 |
| C12 | B2 | 103.98 | 1 |
| C13 | B6 | 103.98 | 1 |
| C10 | A3 | 122.33 | 1 |
| C11 | A5 | 122.33 | 1 |
| C8 | A2 | 128.89 | 1 |
| C9 | A6 | 128.89 | 1 |
| C20 | A1 | 135.64 | 1 |
| C27 | B4 | 135.84 | 1 |
| C21 | B1 | 139.17 | 1 |
| C22 | A4 | 151.53 | 1 |
| C23 | B3 | 154.08 | 1 |
| C24 | B5 | 154.08 | 1 |
| C18 | A4AcC=O | 169.61 | 1 |
| C19 | AAAcC=O | 169.93 | 1 |
| C17 | BAAcC=O | 170.21 | 1 |
| C16 | AGAcC=O | 170.66 | 1 |
| H40 | BB | 1.47 | 1 |
| H39 | BB | 1.47 | 1 |
| H41 | BB | 1.47 | 1 |
| H43 | AcMe | 1.84 | 4 |
| H44 | AcMe | 1.84 | 4 |
| H42 | AcMe | 1.84 | 4 |
| H47 | AcMe | 2.03 | 4 |
| H45 | AcMe | 2.03 | 4 |
| H46 | AcMe | 2.03 | 4 |
| H52 | AcMe | 2.12 | 4 |
| H51 | AcMe | 2.12 | 4 |
| H53 | AcMe | 2.12 | 4 |
| H50 | A4AcMe | 2.25 | 1 |
| H49 | A4AcMe | 2.25 | 1 |
| H48 | A4AcMe | 2.25 | 1 |
| H54 | OMe | 3.79 | 1 |
| H56 | OMe | 3.79 | 1 |
| H55 | OMe | 3.79 | 1 |
| H59 | OMe | 3.79 | 1 |
| H57 | OMe | 3.79 | 1 |
| H58 | OMe | 3.79 | 1 |
| H66 | G1 | 4.15 | 1 |
| H67 | G2 | 4.38 | 1 |
| H69 | B | 4.69 | 1 |
| H68 | BA | 5.78 | 1 |
| H70 | A | 6.07 | 1 |
| H64 | B2 | 6.68 | 1 |
| H65 | B6 | 6.68 | 1 |
| H62 | A3 | 7.11 | 1 |
| H63 | A5 | 7.11 | 1 |
| H60 | A2 | 7.45 | 1 |
| H61 | A6 | 7.45 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.22 | 4 |
| C3 | AcMe | 20.60 | 4 |
| C4 | AcMe | 20.74 | 4 |
| C5 | AcMe | 20.95 | 4 |
| C1 | BB | 21.99 | 1 |
| C6 | OMe | 55.75 | 1 |
| C7 | OMe | 55.75 | 1 |
| C14 | G | 61.94 | 1 |
| C15 | BA | 71.59 | 1 |
| C26 | A | 73.49 | 1 |
| C25 | B | 79.79 | 1 |
| C12 | B2 | 102.85 | 1 |
| C13 | B6 | 102.85 | 1 |
| C10 | A3 | 121.56 | 1 |
| C11 | A5 | 121.56 | 1 |
| C8 | A2 | 128.72 | 1 |
| C9 | A6 | 128.72 | 1 |
| C20 | A1 | 134.26 | 1 |
| C27 | B4 | 135.05 | 1 |
| C21 | B1 | 137.40 | 1 |
| C22 | A4 | 149.96 | 1 |
| C23 | B3 | 152.52 | 1 |
| C24 | B5 | 152.52 | 1 |
| C18 | A4AcC=O | 169.08 | 1 |
| C19 | AAAcC=O | 169.08 | 1 |
| C17 | BAAcC=O | 169.55 | 1 |
| C16 | AGAcC=O | 169.90 | 1 |