S-b-S-AcO (C26 H32 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 520.52568
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | A4AcMe | 20.43 | 1 |
| C2 | GAcMe | 20.76 | 1 |
| C3 | AAcMe | 21.06 | 1 |
| C1 | BA | 21.82 | 1 |
| C5 | OMe | 55.90 | 4 |
| C6 | OMe | 55.91 | 4 |
| C7 | OMe | 56.12 | 4 |
| C8 | OMe | 56.12 | 4 |
| C13 | G | 62.69 | 1 |
| C23 | A | 74.20 | 1 |
| C24 | B | 80.80 | 1 |
| C11 | A2 | 103.81 | 1 |
| C12 | A6 | 103.81 | 1 |
| C9 | B2 | 105.95 | 1 |
| C10 | B6 | 105.95 | 1 |
| C25 | A4 | 128.33 | 1 |
| C26 | B4 | 132.79 | 1 |
| C14 | B1 | 134.13 | 1 |
| C18 | A1 | 135.77 | 1 |
| C21 | A3 | 151.86 | 1 |
| C22 | A5 | 151.86 | 1 |
| C19 | B3 | 152.87 | 1 |
| C20 | B5 | 152.87 | 1 |
| C17 | A4AcC=O | 168.62 | 1 |
| C16 | AAcC=O | 169.54 | 1 |
| C15 | GAcC=O | 170.94 | 1 |
| C13 | G | 63.53 | 1 |
| C23 | A | 75.60 | 1 |
| C24 | B | 80.87 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | A4AcMe | 20.24 | 1 |
| C2 | GAcMe | 20.62 | 1 |
| C3 | AAcMe | 20.93 | 1 |
| C1 | BA | 21.76 | 1 |
| C5 | OMe | 56.25 | 4 |
| C6 | OMe | 56.25 | 4 |
| C7 | OMe | 56.46 | 4 |
| C8 | OMe | 56.46 | 4 |
| C13 | G | 63.22 | 1 |
| C23 | A | 75.33 | 1 |
| C24 | B | 81.45 | 1 |
| C11 | A2 | 104.43 | 1 |
| C12 | A6 | 104.43 | 1 |
| C9 | B2 | 106.85 | 1 |
| C10 | B6 | 106.85 | 1 |
| C25 | A4 | 129.25 | 1 |
| C26 | B4 | 134.15 | 1 |
| C14 | B1 | 134.52 | 1 |
| C18 | A1 | 136.80 | 1 |
| C21 | A3 | 153.01 | 1 |
| C22 | A5 | 153.01 | 1 |
| C19 | B3 | 153.84 | 1 |
| C20 | B5 | 153.84 | 1 |
| C17 | A4AcC=O | 168.54 | 1 |
| C16 | AAcC=O | 169.98 | 1 |
| C15 | GAcC=O | 170.72 | 1 |
| H41 | GAcMe | 1.87 | 1 |
| H42 | GAcMe | 1.87 | 1 |
| H43 | GAcMe | 1.87 | 1 |
| H44 | AAcMe | 2.14 | 1 |
| H45 | AAcMe | 2.14 | 1 |
| H46 | AAcMe | 2.14 | 1 |
| H48 | A4AcMe | 2.22 | 1 |
| H47 | A4AcMe | 2.22 | 1 |
| H49 | A4AcMe | 2.22 | 1 |
| H39 | BA | 2.27 | 1 |
| H38 | BA | 2.27 | 1 |
| H40 | BA | 2.27 | 1 |
| H50 | OMe | 3.78 | 4 |
| H52 | OMe | 3.78 | 4 |
| H51 | OMe | 3.78 | 4 |
| H54 | OMe | 3.78 | 4 |
| H53 | OMe | 3.78 | 4 |
| H55 | OMe | 3.78 | 4 |
| H56 | OMe | 3.81 | 4 |
| H58 | OMe | 3.81 | 4 |
| H57 | OMe | 3.81 | 4 |
| H60 | OMe | 3.81 | 4 |
| H61 | OMe | 3.81 | 4 |
| H59 | OMe | 3.81 | 4 |
| H66 | G1 | 4.18 | 1 |
| H67 | G2 | 4.40 | 1 |
| H68 | B | 4.66 | 1 |
| H69 | A | 6.06 | 1 |
| H62 | B2 | 6.49 | 1 |
| H63 | B6 | 6.49 | 1 |
| H64 | A2 | 6.76 | 1 |
| H65 | A6 | 6.76 | 1 |
| C13 | G | 64.13 | 1 |
| C23 | A | 76.58 | 1 |
| C24 | B | 81.65 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | A4AcMe | 20.04 | 1 |
| C2 | GAcMe | 20.30 | 1 |
| C3 | AAcMe | 20.61 | 1 |
| C1 | BA | 21.32 | 1 |
| C5 | OMe | 55.57 | 4 |
| C6 | OMe | 55.57 | 4 |
| C7 | OMe | 55.84 | 4 |
| C8 | OMe | 55.84 | 4 |
| C13 | G | 62.00 | 1 |
| C23 | A | 73.88 | 1 |
| C24 | B | 79.94 | 1 |
| C11 | A2 | 103.08 | 1 |
| C12 | A6 | 103.08 | 1 |
| C9 | B2 | 105.77 | 1 |
| C10 | B6 | 105.77 | 1 |
| C25 | A4 | 127.39 | 1 |
| C26 | B4 | 132.12 | 1 |
| C14 | B1 | 133.35 | 1 |
| C18 | A1 | 135.39 | 1 |
| C21 | A3 | 151.45 | 1 |
| C22 | A5 | 151.45 | 1 |
| C19 | B3 | 152.27 | 1 |
| C20 | B5 | 152.27 | 1 |
| C17 | A4AcC=O | 167.99 | 1 |
| C16 | AAcC=O | 169.33 | 1 |
| C15 | GAcC=O | 169.95 | 1 |