G-b-S (C25 H30 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 490.4997
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: 110 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.67 | 4 |
| C3 | AcMe | 20.78 | 4 |
| C4 | AcMe | 21.09 | 4 |
| C1 | BA | 21.87 | 1 |
| C6 | OMe | 55.94 | 1 |
| C7 | OMe | 55.94 | 1 |
| C5 | OMe | 55.94 | 1 |
| C13 | G | 62.64 | 1 |
| C24 | A | 74.02 | 1 |
| C23 | B | 80.92 | 1 |
| C10 | B2 | 106.02 | 1 |
| C11 | B6 | 106.02 | 1 |
| C12 | A2 | 111.46 | 1 |
| C8 | A6 | 119.10 | 1 |
| C9 | A5 | 122.43 | 1 |
| C25 | B4 | 132.81 | 1 |
| C14 | B1 | 134.16 | 1 |
| C18 | A1 | 136.35 | 1 |
| C19 | A4 | 139.44 | 1 |
| C20 | A3 | 150.84 | 1 |
| C21 | B3 | 152.96 | 1 |
| C22 | B5 | 152.96 | 1 |
| C16 | A4AcC=O | 168.91 | 1 |
| C17 | AAcC=O | 169.56 | 1 |
| C15 | GAcC=O | 170.92 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.46 | 4 |
| C3 | AcMe | 20.59 | 4 |
| C4 | AcMe | 20.92 | 4 |
| C1 | BA | 21.77 | 1 |
| C6 | OMe | 56.25 | 1 |
| C7 | OMe | 56.25 | 1 |
| C5 | OMe | 56.25 | 1 |
| C13 | G | 63.10 | 1 |
| C24 | A | 75.04 | 1 |
| C23 | B | 81.40 | 1 |
| C10 | B2 | 106.87 | 1 |
| C11 | B6 | 106.87 | 1 |
| C12 | A2 | 112.07 | 1 |
| C8 | A6 | 119.81 | 1 |
| C9 | A5 | 123.29 | 1 |
| C25 | B4 | 134.03 | 1 |
| C14 | B1 | 134.56 | 1 |
| C18 | A1 | 137.26 | 1 |
| C19 | A4 | 140.56 | 1 |
| C20 | A3 | 152.02 | 1 |
| C21 | B3 | 153.86 | 1 |
| C22 | B5 | 153.86 | 1 |
| C16 | A4AcC=O | 168.94 | 1 |
| C17 | AAcC=O | 169.93 | 1 |
| C15 | GAcC=O | 170.67 | 1 |
| H39 | AcMe | 1.85 | 4 |
| H40 | AcMe | 1.85 | 4 |
| H41 | AcMe | 1.85 | 4 |
| H42 | AcMe | 2.12 | 4 |
| H43 | AcMe | 2.12 | 4 |
| H44 | AcMe | 2.12 | 4 |
| H45 | AcMe | 2.22 | 4 |
| H46 | AcMe | 2.22 | 4 |
| H47 | AcMe | 2.22 | 4 |
| H36 | BA | 2.27 | 1 |
| H37 | BA | 2.27 | 1 |
| H38 | BA | 2.27 | 1 |
| H51 | BOMe | 3.76 | 1 |
| H52 | BOMe | 3.76 | 1 |
| H53 | BOMe | 3.76 | 1 |
| H54 | BOMe | 3.76 | 1 |
| H55 | BOMe | 3.76 | 1 |
| H56 | BOMe | 3.76 | 1 |
| H48 | AOMe | 3.82 | 1 |
| H49 | AOMe | 3.82 | 1 |
| H50 | AOMe | 3.82 | 1 |
| H62 | G1 | 4.16 | 1 |
| H63 | G2 | 4.43 | 1 |
| H23 | B | 4.67 | 1 |
| H24 | A | 6.10 | 1 |
| H59 | B2 | 6.51 | 1 |
| H60 | B6 | 6.51 | 1 |
| H57 | A6 | 6.99 | 1 |
| H58 | A5 | 7.06 | 1 |
| H61 | A2 | 7.18 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.34 | 4 |
| C3 | AcMe | 20.34 | 4 |
| C4 | AcMe | 20.67 | 4 |
| C1 | BA | 21.40 | 1 |
| C6 | OMe | 55.66 | 4 |
| C7 | OMe | 55.66 | 4 |
| C5 | OMe | 55.70 | 4 |
| C13 | G | 61.98 | 1 |
| C24 | A | 73.72 | 1 |
| C23 | B | 80.03 | 1 |
| C10 | B2 | 105.90 | 1 |
| C11 | B6 | 105.90 | 1 |
| C12 | A2 | 110.83 | 1 |
| C8 | A6 | 118.66 | 1 |
| C9 | A5 | 122.61 | 1 |
| C25 | B4 | 132.13 | 1 |
| C14 | B1 | 133.51 | 1 |
| C18 | A1 | 135.87 | 1 |
| C19 | A4 | 138.86 | 1 |
| C20 | A3 | 150.63 | 1 |
| C21 | B3 | 152.42 | 1 |
| C22 | B5 | 152.42 | 1 |
| C16 | A4AcC=O | 168.51 | 1 |
| C17 | AAcC=O | 169.39 | 1 |
| C15 | GAcC=O | 170.03 | 1 |