G-5-O-4-G Diacetate (C24 H30 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 430.4908
This is of the category: 5-O-4 Dimers
Concentration: 12 mg/ml (Source: Forest Products Laboratory)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AG | 9.90 | 1 |
| C1 | BG | 13.81 | 1 |
| C4 | A4AcMe | 20.42 | 1 |
| C3 | AAAcMe | 21.19 | 1 |
| C7 | BB | 24.62 | 1 |
| C8 | AB | 29.31 | 1 |
| C9 | BA | 37.87 | 1 |
| C5 | BOMe | 55.98 | 1 |
| C6 | AOMe | 56.22 | 1 |
| C19 | AA | 76.92 | 1 |
| C13 | A2 | 104.58 | 1 |
| C14 | A6 | 108.53 | 1 |
| C12 | B2 | 113.11 | 1 |
| C10 | B6 | 120.49 | 1 |
| C11 | B5 | 120.86 | 1 |
| C24 | A4 | 129.59 | 1 |
| C18 | A1 | 138.79 | 1 |
| C17 | B1 | 139.73 | 1 |
| C20 | B4 | 142.84 | 1 |
| C23 | A5 | 150.39 | 1 |
| C21 | B3 | 150.72 | 1 |
| C22 | A3 | 152.46 | 1 |
| C16 | A4AcC=O | 168.48 | 1 |
| C15 | AAAcC=O | 170.26 | 1 |
| H35 | AG | 0.84 | 1 |
| H37 | AG | 0.84 | 1 |
| H36 | AG | 0.84 | 1 |
| H32 | BG | 0.95 | 1 |
| H34 | BG | 0.95 | 1 |
| H33 | BG | 0.95 | 1 |
| H50 | BB | 1.65 | 1 |
| H51 | BB | 1.65 | 1 |
| H52 | AB | 1.76 | 1 |
| H53 | AB | 1.76 | 1 |
| H38 | AAAcMe | 2.03 | 1 |
| H39 | AAAcMe | 2.03 | 1 |
| H40 | AAAcMe | 2.03 | 1 |
| H41 | A4AcMe | 2.24 | 1 |
| H42 | A4AcMe | 2.24 | 1 |
| H43 | A4AcMe | 2.24 | 1 |
| H54 | BA | 2.57 | 1 |
| H55 | BA | 2.57 | 1 |
| H45 | BOMe | 3.80 | 1 |
| H44 | BOMe | 3.80 | 1 |
| H46 | BOMe | 3.80 | 1 |
| H49 | AOMe | 3.85 | 1 |
| H47 | AOMe | 3.85 | 1 |
| H48 | AOMe | 3.85 | 1 |
| H61 | AA | 5.52 | 1 |
| H60 | A6 | 6.38 | 1 |
| H59 | A2 | 6.63 | 1 |
| H56 | B6 | 6.69 | 1 |
| H58 | B2 | 6.78 | 1 |
| H57 | B5 | 6.84 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AG | 10.12 | 1 |
| C1 | BG | 14.00 | 1 |
| C4 | A4AcMe | 20.22 | 1 |
| C3 | AAAcMe | 20.94 | 1 |
| C7 | BB | 25.36 | 1 |
| C8 | AB | 30.11 | 1 |
| C9 | BA | 38.36 | 1 |
| C5 | BOMe | 56.18 | 1 |
| C6 | AOMe | 56.56 | 1 |
| C19 | AA | 77.23 | 1 |
| C13 | A2 | 104.97 | 1 |
| C14 | A6 | 107.93 | 1 |
| C12 | B2 | 114.36 | 1 |
| C10 | B6 | 121.58 | 1 |
| C11 | B5 | 121.73 | 1 |
| C24 | A4 | 129.57 | 1 |
| C18 | A1 | 140.24 | 1 |
| C17 | B1 | 141.00 | 1 |
| C20 | B4 | 143.37 | 1 |
| C23 | A5 | 151.63 | 1 |
| C21 | B3 | 152.15 | 1 |
| C22 | A3 | 153.60 | 1 |
| C16 | A4AcC=O | 168.46 | 1 |
| C15 | AAAcC=O | 170.25 | 1 |
| H35 | AG | 0.82 | 1 |
| H37 | AG | 0.82 | 1 |
| H36 | AG | 0.82 | 1 |
| H32 | BG | 0.93 | 1 |
| H34 | BG | 0.93 | 1 |
| H33 | BG | 0.93 | 1 |
| H50 | BB | 1.64 | 1 |
| H51 | BB | 1.64 | 1 |
| H52 | AB | 1.73 | 1 |
| H53 | AB | 1.73 | 1 |
| H38 | AAAcMe | 1.96 | 1 |
| H39 | AAAcMe | 1.96 | 1 |
| H40 | AAAcMe | 1.96 | 1 |
| H41 | A4AcMe | 2.18 | 1 |
| H42 | A4AcMe | 2.18 | 1 |
| H43 | A4AcMe | 2.18 | 1 |
| H54 | BA | 2.58 | 1 |
| H55 | BA | 2.58 | 1 |
| H45 | BOMe | 3.76 | 1 |
| H44 | BOMe | 3.76 | 1 |
| H46 | BOMe | 3.76 | 1 |
| H49 | AOMe | 3.84 | 1 |
| H47 | AOMe | 3.84 | 1 |
| H48 | AOMe | 3.84 | 1 |
| H61 | AA | 5.48 | 1 |
| H60 | A6 | 6.32 | 1 |
| H56 | B6 | 6.75 | 1 |
| H59 | A2 | 6.77 | 1 |
| H57 | B5 | 6.84 | 1 |
| H58 | B2 | 6.96 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AG | 9.75 | 1 |
| C1 | BG | 13.63 | 1 |
| C4 | A4AcMe | 20.09 | 1 |
| C3 | AAAcMe | 20.78 | 1 |
| C7 | BB | 24.14 | 1 |
| C8 | AB | 28.91 | 1 |
| C9 | BA | 37.05 | 1 |
| C5 | BOMe | 55.64 | 1 |
| C6 | AOMe | 56.17 | 1 |
| C19 | AA | 76.07 | 1 |
| C13 | A2 | 104.20 | 1 |
| C14 | A6 | 106.52 | 1 |
| C12 | B2 | 113.48 | 1 |
| C10 | B6 | 120.55 | 1 |
| C11 | B5 | 120.68 | 1 |
| C24 | A4 | 128.30 | 1 |
| C18 | A1 | 139.23 | 1 |
| C17 | B1 | 139.90 | 1 |
| C20 | B4 | 141.62 | 1 |
| C23 | A5 | 150.02 | 1 |
| C21 | B3 | 150.66 | 1 |
| C22 | A3 | 152.18 | 1 |
| C16 | A4AcC=O | 168.05 | 1 |
| C15 | AAAcC=O | 169.76 | 1 |