H-c-G (C21 H22 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 370.39578
This is of the category: b-5 Dimers
Concentration: 4 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | GAcMe | 20.89 | 1 |
| C3 | A4AcMe | 21.21 | 1 |
| C1 | BA | 21.35 | 1 |
| C18 | B | 50.94 | 1 |
| C4 | OMe | 56.11 | 1 |
| C11 | G | 65.83 | 1 |
| C20 | A | 87.46 | 1 |
| C10 | B2 | 113.35 | 1 |
| C9 | B6 | 117.04 | 1 |
| C7 | A3 | 121.81 | 1 |
| C8 | A5 | 121.81 | 1 |
| C5 | A2 | 127.10 | 1 |
| C6 | A6 | 127.10 | 1 |
| C17 | B5 | 128.30 | 1 |
| C12 | B1 | 131.59 | 1 |
| C15 | A1 | 138.76 | 1 |
| C19 | B3 | 144.09 | 1 |
| C21 | B4 | 145.86 | 1 |
| C16 | A4 | 150.54 | 1 |
| C14 | A4AcC=O | 169.44 | 1 |
| C13 | GAcC=O | 170.88 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | GAcMe | 20.68 | 1 |
| C3 | A4AcMe | 20.95 | 1 |
| C1 | BA | 21.18 | 1 |
| C18 | B | 51.78 | 1 |
| C4 | OMe | 56.38 | 1 |
| C11 | G | 66.29 | 1 |
| C20 | A | 87.57 | 1 |
| C10 | B2 | 114.79 | 1 |
| C9 | B6 | 118.02 | 1 |
| C7 | A3 | 122.82 | 1 |
| C8 | A5 | 122.82 | 1 |
| C5 | A2 | 127.64 | 1 |
| C6 | A6 | 127.64 | 1 |
| C17 | B5 | 128.12 | 1 |
| C12 | B1 | 131.95 | 1 |
| C15 | A1 | 140.15 | 1 |
| C19 | B3 | 145.03 | 1 |
| C21 | B4 | 146.96 | 1 |
| C16 | A4 | 151.66 | 1 |
| C14 | A4AcC=O | 169.62 | 1 |
| C13 | GAcC=O | 170.94 | 1 |
| H31 | GAcMe | 2.00 | 1 |
| H32 | GAcMe | 2.00 | 1 |
| H33 | GAcMe | 2.00 | 1 |
| H34 | A4AcMe | 2.24 | 1 |
| H35 | A4AcMe | 2.24 | 1 |
| H36 | A4AcMe | 2.24 | 1 |
| H28 | BA | 2.26 | 1 |
| H29 | BA | 2.26 | 1 |
| H30 | BA | 2.26 | 1 |
| H18 | B | 3.73 | 1 |
| H37 | OMe | 3.83 | 1 |
| H38 | OMe | 3.83 | 1 |
| H39 | OMe | 3.83 | 1 |
| H46 | G1 | 4.27 | 1 |
| H47 | G2 | 4.41 | 1 |
| H49 | A | 5.58 | 1 |
| H45 | B2 | 6.70 | 1 |
| H44 | B6 | 6.73 | 1 |
| H42 | A3 | 7.11 | 1 |
| H43 | A5 | 7.11 | 1 |
| H40 | A2 | 7.44 | 1 |
| H41 | A6 | 7.44 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | GAcMe | 20.48 | 1 |
| C3 | A4AcMe | 20.73 | 1 |
| C1 | BA | 20.73 | 1 |
| C18 | B | 49.85 | 1 |
| C4 | OMe | 55.56 | 1 |
| C11 | G | 65.02 | 1 |
| C20 | A | 85.95 | 1 |
| C10 | B2 | 113.40 | 1 |
| C9 | B6 | 116.88 | 1 |
| C7 | A3 | 121.90 | 1 |
| C8 | A5 | 121.90 | 1 |
| C5 | A2 | 126.83 | 1 |
| C6 | A6 | 126.83 | 1 |
| C17 | B5 | 127.67 | 1 |
| C12 | B1 | 130.59 | 1 |
| C15 | A1 | 138.55 | 1 |
| C19 | B3 | 143.38 | 1 |
| C21 | B4 | 145.14 | 1 |
| C16 | A4 | 150.07 | 1 |
| C14 | A4AcC=O | 169.08 | 1 |
| C13 | GAcC=O | 170.21 | 1 |