Guaiacylglycerol-B-coniferyl Ether (C20 H24 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 376.40036
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 55.97 | 1 |
| C2 | B3OMe | 56.03 | 1 |
| C12 | G | 61.21 | 1 |
| C9 | BG | 63.56 | 1 |
| C20 | A | 74.07 | 1 |
| C19 | B | 89.47 | 1 |
| C10 | B2 | 108.94 | 1 |
| C11 | A2 | 110.00 | 1 |
| C7 | A5 | 114.37 | 1 |
| C8 | B5 | 120.15 | 1 |
| C5 | B6 | 120.29 | 1 |
| C6 | A6 | 120.83 | 1 |
| C3 | BB | 128.24 | 1 |
| C4 | BA | 130.53 | 1 |
| C13 | B1 | 131.55 | 1 |
| C14 | A1 | 133.15 | 1 |
| C15 | A4 | 144.75 | 1 |
| C17 | A3 | 145.71 | 1 |
| C16 | B4 | 147.47 | 1 |
| C18 | B3 | 151.33 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 56.19 | 1 |
| C2 | B3OMe | 56.31 | 1 |
| C12 | G | 61.88 | 1 |
| C9 | BG | 63.25 | 1 |
| C20 | A | 73.83 | 1 |
| C19 | B | 88.37 | 1 |
| C10 | B2 | 110.85 | 1 |
| C11 | A2 | 111.42 | 1 |
| C7 | A5 | 115.21 | 1 |
| C8 | B5 | 119.57 | 1 |
| C5 | B6 | 120.31 | 1 |
| C6 | A6 | 120.54 | 1 |
| C3 | BB | 129.63 | 1 |
| C4 | BA | 129.85 | 1 |
| C13 | B1 | 132.96 | 1 |
| C14 | A1 | 133.82 | 1 |
| C15 | A4 | 146.83 | 1 |
| C17 | A3 | 148.03 | 1 |
| C16 | B4 | 149.15 | 1 |
| C18 | B3 | 151.69 | 1 |
| H44 | G1 | 3.48 | 1 |
| H45 | G2 | 3.67 | 1 |
| H49 | AGOH | 3.85 | 1 |
| H48 | BGOH | 3.85 | 1 |
| H28 | A3OMe | 3.80 | 1 |
| H29 | A3OMe | 3.80 | 1 |
| H30 | A3OMe | 3.80 | 1 |
| H32 | B3OMe | 3.88 | 1 |
| H31 | B3OMe | 3.88 | 1 |
| H33 | B3OMe | 3.88 | 1 |
| H40 | BG | 4.20 | 1 |
| H41 | BG | 4.20 | 1 |
| H46 | B | 4.20 | 1 |
| H51 | AOH | 4.45 | 1 |
| H47 | A | 4.87 | 1 |
| H34 | BB | 6.28 | 1 |
| H35 | BA | 6.52 | 1 |
| H38 | A5 | 6.76 | 1 |
| H37 | A6 | 6.895 | 1 |
| H39 | B6 | 6.895 | 1 |
| H43 | A2 | 7.08 | 1 |
| H42 | B2 | 7.09 | 1 |
| H49 | B5 | 7.11 | 1 |
| H50 | A4OH | 7.50 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 55.44 | 1 |
| C2 | B3OMe | 55.83 | 1 |
| C12 | G | 60.16 | 1 |
| C9 | BG | 61.65 | 1 |
| C20 | A | 71.01 | 1 |
| C19 | B | 84.36 | 1 |
| C10 | B2 | 109.84 | 1 |
| C11 | A2 | 111.05 | 1 |
| C7 | A5 | 114.71 | 1 |
| C8 | B5 | 115.53 | 1 |
| C5 | B6 | 119.05 | 1 |
| C6 | A6 | 119.10 | 1 |
| C3 | BB | 128.58 | 1 |
| C4 | BA | 128.60 | 1 |
| C13 | B1 | 130.18 | 1 |
| C14 | A1 | 132.97 | 1 |
| C15 | A4 | 145.46 | 1 |
| C17 | A3 | 147.03 | 1 |
| C16 | B4 | 147.88 | 1 |
| C18 | B3 | 149.70 | 1 |