S-b-S (C26 H30 O12)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 534.5092
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: 70 mg/ml (Source: Larry L. Landucci)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.44 | 1 |
| C2 | AAcMe | 20.70 | 1 |
| C1 | GAcMe | 21.04 | 1 |
| C6 | AOMe | 56.18 | 1 |
| C7 | AOMe | 56.18 | 1 |
| C4 | BOMe | 56.18 | 1 |
| C5 | BOMe | 56.18 | 1 |
| C13 | G | 62.90 | 1 |
| C24 | A | 74.17 | 1 |
| C23 | B | 80.87 | 1 |
| C10 | A2 | 104.07 | 1 |
| C11 | A6 | 104.07 | 1 |
| C8 | B2 | 106.50 | 1 |
| C9 | B6 | 106.50 | 1 |
| C25 | A4 | 128.61 | 1 |
| C17 | B1 | 132.08 | 1 |
| C18 | A1 | 135.04 | 1 |
| C26 | B4 | 140.89 | 1 |
| C21 | A3 | 151.95 | 1 |
| C22 | A5 | 151.95 | 1 |
| C19 | B3 | 153.46 | 1 |
| C20 | B5 | 153.46 | 1 |
| C16 | A4AcC=O | 168.60 | 1 |
| C15 | AAcC=O | 169.46 | 1 |
| C14 | GAcC=O | 170.76 | 1 |
| C12 | BA | 191.01 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.24 | 1 |
| C2 | AAcMe | 20.58 | 1 |
| C1 | GAcMe | 20.89 | 1 |
| C6 | AOMe | 56.50 | 1 |
| C7 | AOMe | 56.50 | 1 |
| C4 | BOMe | 56.58 | 1 |
| C5 | BOMe | 56.58 | 1 |
| C13 | G | 63.40 | 1 |
| C24 | A | 75.17 | 1 |
| C23 | B | 81.67 | 1 |
| C10 | A2 | 104.61 | 1 |
| C11 | A6 | 104.61 | 1 |
| C8 | B2 | 107.18 | 1 |
| C9 | B6 | 107.18 | 1 |
| C25 | A4 | 129.41 | 1 |
| C17 | B1 | 133.26 | 1 |
| C18 | A1 | 136.27 | 1 |
| C26 | B4 | 141.81 | 1 |
| C21 | A3 | 153.06 | 1 |
| C22 | A5 | 153.06 | 1 |
| C19 | B3 | 154.43 | 1 |
| C20 | B5 | 154.43 | 1 |
| C16 | A4AcC=O | 168.52 | 1 |
| C15 | AAcC=O | 169.94 | 1 |
| C14 | GAcC=O | 170.66 | 1 |
| C12 | BA | 191.69 | 1 |
| H39 | GAcMe | 1.87 | 1 |
| H40 | GAcMe | 1.87 | 1 |
| H41 | GAcMe | 1.87 | 1 |
| H42 | AAcMe | 2.14 | 1 |
| H43 | AAcMe | 2.14 | 1 |
| H44 | AAcMe | 2.14 | 1 |
| H46 | A4AcMe | 2.22 | 1 |
| H45 | A4AcMe | 2.22 | 1 |
| H47 | A4AcMe | 2.22 | 1 |
| H48 | OMe | 3.82 | 4 |
| H50 | OMe | 3.82 | 4 |
| H49 | OMe | 3.82 | 4 |
| H52 | OMe | 3.82 | 4 |
| H51 | OMe | 3.82 | 4 |
| H53 | OMe | 3.82 | 4 |
| H54 | OMe | 3.95 | 4 |
| H56 | OMe | 3.95 | 4 |
| H55 | OMe | 3.95 | 4 |
| H58 | OMe | 3.95 | 4 |
| H59 | OMe | 3.95 | 4 |
| H57 | OMe | 3.95 | 4 |
| H65 | G1 | 4.22 | 1 |
| H66 | G2 | 4.47 | 1 |
| H67 | B | 4.95 | 1 |
| H68 | A | 6.09 | 1 |
| H62 | A2 | 6.81 | 1 |
| H63 | A6 | 6.81 | 1 |
| H60 | B2 | 7.25 | 1 |
| H61 | B6 | 7.25 | 1 |
| H64 | BA | 9.90 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.09 | 1 |
| C2 | AAcMe | 20.31 | 1 |
| C1 | GAcMe | 20.63 | 1 |
| C6 | AOMe | 55.93 | 1 |
| C7 | AOMe | 55.93 | 1 |
| C4 | BOMe | 55.99 | 1 |
| C5 | BOMe | 55.99 | 1 |
| C13 | G | 62.26 | 1 |
| C24 | A | 73.81 | 1 |
| C23 | B | 80.21 | 1 |
| C10 | A2 | 103.39 | 1 |
| C11 | A6 | 103.39 | 1 |
| C8 | B2 | 106.37 | 1 |
| C9 | B6 | 106.37 | 1 |
| C25 | A4 | 127.60 | 1 |
| C17 | B1 | 131.82 | 1 |
| C18 | A1 | 134.94 | 1 |
| C26 | B4 | 140.06 | 1 |
| C21 | A3 | 151.54 | 1 |
| C22 | A5 | 151.54 | 1 |
| C19 | B3 | 152.95 | 1 |
| C20 | B5 | 152.95 | 1 |
| C16 | A4AcC=O | 168.03 | 1 |
| C15 | AAcC=O | 169.35 | 1 |
| C14 | GAcC=O | 169.96 | 1 |
| C12 | BA | 191.82 | 1 |