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 | 60.87 | 1 |
| C9 | BG | 63.56 | 1 |
| C20 | A | 72.96 | 1 |
| C19 | B | 87.34 | 1 |
| C10 | B2 | 108.82 | 1 |
| C11 | A2 | 110.05 | 1 |
| C7 | A5 | 114.37 | 1 |
| C8 | B5 | 119.14 | 1 |
| C5 | B6 | 120.09 | 1 |
| C6 | A6 | 120.79 | 1 |
| C3 | BB | 128.19 | 1 |
| C4 | BA | 130.56 | 1 |
| C13 | B1 | 131.86 | 1 |
| C14 | A1 | 133.11 | 1 |
| C15 | A4 | 143.98 | 1 |
| C17 | A3 | 145.27 | 1 |
| C16 | B4 | 146.75 | 1 |
| C18 | B3 | 151.62 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 56.21 | 1 |
| C2 | B3OMe | 56.29 | 1 |
| C12 | G | 61.82 | 1 |
| C9 | BG | 63.25 | 1 |
| C20 | A | 73.81 | 1 |
| C19 | B | 86.63 | 1 |
| C10 | B2 | 110.99 | 1 |
| C11 | A2 | 111.44 | 1 |
| C7 | A5 | 115.13 | 1 |
| C8 | B5 | 119.27 | 1 |
| C5 | B6 | 120.23 | 1 |
| C6 | A6 | 120.46 | 1 |
| C3 | BB | 129.54 | 1 |
| C4 | BA | 129.87 | 1 |
| C13 | B1 | 132.84 | 1 |
| C14 | A1 | 134.24 | 1 |
| C15 | A4 | 146.65 | 1 |
| C17 | A3 | 147.96 | 1 |
| C16 | B4 | 148.55 | 1 |
| C18 | B3 | 151.88 | 1 |
| H44 | G1 | 3.69 | 1 |
| H45 | G2 | 3.81 | 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 | 3.84 | 1 |
| H31 | B3OMe | 3.84 | 1 |
| H33 | B3OMe | 3.84 | 1 |
| H40 | BG | 4.19 | 1 |
| H41 | BG | 4.19 | 1 |
| H46 | B | 4.29 | 1 |
| H51 | AOH | 4.57 | 1 |
| H47 | A | 4.89 | 1 |
| H34 | BB | 6.26 | 1 |
| H35 | BA | 6.50 | 1 |
| H38 | A5 | 6.75 | 1 |
| H37 | A6 | 6.875 | 1 |
| H36 | B6 | 6.875 | 1 |
| H39 | B5 | 6.91 | 1 |
| H42 | B2 | 7.05 | 1 |
| H43 | A2 | 7.10 | 1 |
| H50 | A4OH | 7.47 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 55.64 | 1 |
| C2 | B3OMe | 55.64 | 1 |
| C12 | G | 60.16 | 1 |
| C9 | BG | 61.65 | 1 |
| C20 | A | 71.67 | 1 |
| C19 | B | 83.75 | 1 |
| C10 | B2 | 109.93 | 1 |
| C11 | A2 | 111.47 | 1 |
| C7 | A5 | 114.60 | 1 |
| C8 | B5 | 115.60 | 1 |
| C5 | B6 | 119.05 | 1 |
| C6 | A6 | 119.54 | 1 |
| C3 | BB | 128.52 | 1 |
| C4 | BA | 128.60 | 1 |
| C13 | B1 | 130.08 | 1 |
| C14 | A1 | 133.23 | 1 |
| C15 | A4 | 145.46 | 1 |
| C17 | A3 | 147.00 | 1 |
| C16 | B4 | 147.60 | 1 |
| C18 | B3 | 149.75 | 1 |