G-c-G (C22 H24 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 400.42176
This is of the category: b-5 Dimers
Concentration: 62 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 21.51 | 4 |
| C3 | AcMe | 21.67 | 4 |
| C1 | BA | 22.13 | 1 |
| C17 | B | 51.63 | 1 |
| C4 | OMe | 56.77 | 1 |
| C5 | OMe | 56.77 | 1 |
| C11 | G | 66.49 | 1 |
| C21 | A | 88.49 | 1 |
| C10 | A2 | 110.89 | 1 |
| C9 | B2 | 114.11 | 1 |
| C8 | B6 | 117.76 | 1 |
| C6 | A6 | 119.09 | 1 |
| C7 | A5 | 123.68 | 1 |
| C16 | B5 | 127.71 | 1 |
| C12 | B1 | 132.29 | 1 |
| C18 | A4 | 140.42 | 1 |
| C15 | A1 | 140.73 | 1 |
| C20 | B3 | 144.89 | 1 |
| C22 | B4 | 146.62 | 1 |
| C19 | A3 | 152.09 | 1 |
| C14 | A4AcC=O | 169.81 | 1 |
| C13 | GAcC=O | 171.66 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.47 | 4 |
| C3 | AcMe | 20.70 | 4 |
| C1 | BA | 21.18 | 1 |
| C17 | B | 51.65 | 1 |
| C4 | OMe | 56.23 | 4 |
| C5 | OMe | 56.41 | 4 |
| C11 | G | 66.19 | 1 |
| C21 | A | 87.85 | 1 |
| C10 | A2 | 111.02 | 1 |
| C9 | B2 | 114.79 | 1 |
| C8 | B6 | 117.92 | 1 |
| C6 | A6 | 118.61 | 1 |
| C7 | A5 | 123.72 | 1 |
| C16 | B5 | 128.29 | 1 |
| C12 | B1 | 131.92 | 1 |
| C18 | A4 | 140.61 | 1 |
| C15 | A1 | 141.40 | 1 |
| C20 | B3 | 145.00 | 1 |
| C22 | B4 | 146.96 | 1 |
| C19 | A3 | 152.36 | 1 |
| C14 | A4AcC=O | 168.97 | 1 |
| C13 | GAcC=O | 170.96 | 1 |
| H34 | AcMe | 2.01 | 4 |
| H35 | AcMe | 2.01 | 4 |
| H33 | AcMe | 2.01 | 4 |
| H38 | AcMe | 2.22 | 4 |
| H37 | AcMe | 2.22 | 4 |
| H36 | AcMe | 2.22 | 4 |
| H30 | BA | 2.26 | 1 |
| H31 | BA | 2.26 | 1 |
| H32 | BA | 2.26 | 1 |
| H52 | B | 3.74 | 1 |
| H39 | AOMe | 3.80 | 1 |
| H40 | AOMe | 3.80 | 1 |
| H41 | AOMe | 3.80 | 1 |
| H42 | BOMe | 3.83 | 1 |
| H43 | BOMe | 3.83 | 1 |
| H44 | BOMe | 3.83 | 1 |
| H50 | G1 | 4.29 | 1 |
| H51 | G2 | 4.42 | 1 |
| H53 | A | 5.55 | 1 |
| H47 | B6 | 6.70 | 1 |
| H48 | B2 | 6.73 | 1 |
| H45 | A6 | 6.99 | 1 |
| H46 | A5 | 7.05 | 1 |
| H49 | A2 | 7.18 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.33 | 4 |
| C3 | AcMe | 20.54 | 4 |
| C1 | BA | 20.80 | 1 |
| C17 | B | 49.82 | 1 |
| C4 | OMe | 55.66 | 4 |
| C5 | OMe | 55.73 | 4 |
| C11 | G | 65.03 | 1 |
| C21 | A | 86.41 | 1 |
| C10 | A2 | 110.39 | 1 |
| C9 | B2 | 113.50 | 1 |
| C8 | B6 | 116.90 | 1 |
| C6 | A6 | 117.81 | 1 |
| C7 | A5 | 122.87 | 1 |
| C16 | B5 | 127.22 | 1 |
| C12 | B1 | 130.68 | 1 |
| C18 | A4 | 138.98 | 1 |
| C15 | A1 | 139.88 | 1 |
| C20 | B3 | 143.48 | 1 |
| C22 | B4 | 145.26 | 1 |
| C19 | A3 | 150.83 | 1 |
| C14 | A4AcC=O | 168.47 | 1 |
| C13 | GAcC=O | 170.29 | 1 |