Lignin_cw_compound_281 (C20 H26 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 362.41684
This is of the category: 5-5 Dimers
Concentration: Saturated (Source: Forest Products Laboratory)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.40 | 1 |
| C2 | G | 10.40 | 1 |
| C5 | B | 31.89 | 1 |
| C6 | B | 31.89 | 1 |
| C3 | OMe | 56.22 | 1 |
| C4 | OMe | 56.22 | 1 |
| C15 | A | 76.08 | 1 |
| C16 | A | 76.08 | 1 |
| C9 | 2 | 108.03 | 1 |
| C10 | 2 | 108.03 | 1 |
| C7 | 6 | 121.13 | 1 |
| C8 | 6 | 121.13 | 1 |
| C13 | 5 | 124.15 | 1 |
| C14 | 5 | 124.15 | 1 |
| C11 | 1 | 136.76 | 1 |
| C12 | 1 | 136.76 | 1 |
| C19 | 4 | 142.08 | 1 |
| C20 | 4 | 142.08 | 1 |
| C17 | 3 | 147.47 | 1 |
| C18 | 3 | 147.47 | 1 |
| H29 | G | 0.93 | 1 |
| H27 | G | 0.93 | 1 |
| H28 | G | 0.93 | 1 |
| H30 | G | 0.93 | 1 |
| H32 | G | 0.93 | 1 |
| H31 | G | 0.93 | 1 |
| H39 | B | 1.79 | 1 |
| H40 | B | 1.79 | 1 |
| H41 | B | 1.79 | 1 |
| H42 | B | 1.79 | 1 |
| H33 | OMe | 3.92 | 1 |
| H34 | OMe | 3.92 | 1 |
| H35 | OMe | 3.92 | 1 |
| H38 | OMe | 3.92 | 1 |
| H37 | OMe | 3.92 | 1 |
| H36 | OMe | 3.92 | 1 |
| H47 | A | 4.54 | 1 |
| H48 | A | 4.54 | 1 |
| H43 | 6 | 6.87 | 1 |
| H44 | 6 | 6.87 | 1 |
| H45 | 2 | 6.93 | 1 |
| H46 | 2 | 6.93 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.70 | 1 |
| C2 | G | 10.70 | 1 |
| C5 | B | 33.21 | 1 |
| C6 | B | 33.21 | 1 |
| C3 | OMe | 56.43 | 1 |
| C4 | OMe | 56.43 | 1 |
| C15 | A | 75.70 | 1 |
| C16 | A | 75.70 | 1 |
| C9 | 2 | 109.18 | 1 |
| C10 | 2 | 109.18 | 1 |
| C7 | 6 | 121.81 | 1 |
| C8 | 6 | 121.81 | 1 |
| C13 | 5 | 126.11 | 1 |
| C14 | 5 | 126.11 | 1 |
| C11 | 1 | 138.09 | 1 |
| C12 | 1 | 138.09 | 1 |
| C19 | 4 | 143.38 | 1 |
| C20 | 4 | 143.38 | 1 |
| C17 | 3 | 148.56 | 1 |
| C18 | 3 | 148.56 | 1 |
| H29 | G | 0.91 | 1 |
| H27 | G | 0.91 | 1 |
| H28 | G | 0.91 | 1 |
| H30 | G | 0.91 | 1 |
| H32 | G | 0.91 | 1 |
| H31 | G | 0.91 | 1 |
| H39 | B | 1.71 | 1 |
| H40 | B | 1.71 | 1 |
| H41 | B | 1.71 | 1 |
| H42 | B | 1.71 | 1 |
| H33 | OMe | 3.88 | 1 |
| H34 | OMe | 3.88 | 1 |
| H35 | OMe | 3.88 | 1 |
| H38 | OMe | 3.88 | 1 |
| H37 | OMe | 3.88 | 1 |
| H36 | OMe | 3.88 | 1 |
| H47 | A | 4.50 | 1 |
| H48 | A | 4.50 | 1 |
| H43 | 6 | 6.85 | 1 |
| H44 | 6 | 6.85 | 1 |
| H45 | 2 | 6.99 | 1 |
| H46 | 2 | 6.99 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.33 | 1 |
| C2 | G | 10.33 | 1 |
| C5 | B | 32.06 | 1 |
| C6 | B | 32.06 | 1 |
| C3 | OMe | 55.81 | 1 |
| C4 | OMe | 55.81 | 1 |
| C15 | A | 73.71 | 1 |
| C16 | A | 73.71 | 1 |
| C9 | 2 | 108.28 | 1 |
| C10 | 2 | 108.28 | 1 |
| C7 | 6 | 120.58 | 1 |
| C8 | 6 | 120.58 | 1 |
| C13 | 5 | 125.54 | 1 |
| C14 | 5 | 125.54 | 1 |
| C11 | 1 | 136.43 | 1 |
| C12 | 1 | 136.43 | 1 |
| C19 | 4 | 142.10 | 1 |
| C20 | 4 | 142.10 | 1 |
| C17 | 3 | 147.36 | 1 |
| C18 | 3 | 147.36 | 1 |
| H29 | G | 0.84 | 1 |
| H27 | G | 0.84 | 1 |
| H28 | G | 0.84 | 1 |
| H30 | G | 0.84 | 1 |
| H32 | G | 0.84 | 1 |
| H31 | G | 0.84 | 1 |
| H39 | B | 1.60 | 1 |
| H40 | B | 1.60 | 1 |
| H41 | B | 1.60 | 1 |
| H42 | B | 1.60 | 1 |
| H33 | OMe | 3.81 | 1 |
| H34 | OMe | 3.81 | 1 |
| H35 | OMe | 3.81 | 1 |
| H38 | OMe | 3.81 | 1 |
| H37 | OMe | 3.81 | 1 |
| H36 | OMe | 3.81 | 1 |
| H47 | A | 4.34 | 1 |
| H48 | A | 4.34 | 1 |
| H49 | AOH | 4.98 | 1 |
| H50 | AOH | 4.98 | 1 |
| H43 | 6 | 6.66 | 1 |
| H44 | 6 | 6.66 | 1 |
| H45 | 2 | 6.87 | 1 |
| H46 | 2 | 6.87 | 1 |
| H51 | 4-OH | 8.20 | 1 |
| H52 | 4-OH | 8.20 | 1 |