Lignin_cw_compound_2 (C21 H28 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 408.44222
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.45 | 1 |
| C2 | OMe | 55.87 | 1 |
| C3 | OMe | 55.87 | 1 |
| C4 | BOMe | 56.08 | 1 |
| C5 | BOMe | 56.08 | 1 |
| C11 | G | 60.48 | 1 |
| C12 | BA | 70.11 | 1 |
| C20 | A | 73.98 | 1 |
| C19 | B | 88.94 | 1 |
| C9 | B2 | 102.25 | 1 |
| C10 | B6 | 102.25 | 1 |
| C8 | A2 | 110.28 | 1 |
| C7 | A5 | 111.02 | 1 |
| C6 | A6 | 119.80 | 1 |
| C13 | A1 | 132.56 | 1 |
| C14 | B1 | 134.08 | 1 |
| C21 | B4 | 143.04 | 1 |
| C15 | A4 | 148.73 | 1 |
| C16 | A3 | 148.90 | 1 |
| C18 | B3 | 152.84 | 1 |
| C17 | B5 | 152.84 | 1 |
| H30 | Bb | 1.45 | 1 |
| H31 | Bb | 1.45 | 1 |
| H32 | Bb | 1.45 | 1 |
| H33 | OMe | 3.85 | 4 |
| H34 | OMe | 3.85 | 4 |
| H35 | OMe | 3.85 | 4 |
| H36 | OMe | 3.85 | 4 |
| H37 | OMe | 3.85 | 4 |
| H38 | OMe | 3.85 | 4 |
| H39 | OMe | 3.87 | 4 |
| H40 | OMe | 3.87 | 4 |
| H41 | OMe | 3.87 | 4 |
| H42 | OMe | 3.89 | 4 |
| H43 | OMe | 3.89 | 4 |
| H44 | OMe | 3.89 | 4 |
| H52 | Ba | 4.81 | 1 |
| H54 | a | 5.02 | 1 |
| H48 | B2 | 6.63 | 1 |
| H49 | B6 | 6.63 | 1 |
| H47 | A2 | 6.9 | 1 |
| H46 | A5 | 6.83 | 1 |
| H45 | A6 | 6.9 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.23 | 1 |
| C2 | OMe | 55.97 | 1 |
| C3 | OMe | 56.03 | 1 |
| C4 | BOMe | 56.44 | 1 |
| C5 | BOMe | 56.44 | 1 |
| C11 | G | 61.26 | 1 |
| C12 | BA | 69.93 | 1 |
| C20 | A | 73.89 | 1 |
| C19 | B | 89.58 | 1 |
| C9 | B2 | 103.30 | 1 |
| C10 | B6 | 103.30 | 1 |
| C8 | A2 | 111.78 | 1 |
| C7 | A5 | 112.18 | 1 |
| C6 | A6 | 120.22 | 1 |
| C13 | A1 | 134.74 | 1 |
| C14 | B1 | 135.39 | 1 |
| C21 | B4 | 144.54 | 1 |
| C15 | A4 | 149.58 | 1 |
| C16 | A3 | 149.86 | 1 |
| C18 | B3 | 153.52 | 1 |
| C17 | B5 | 153.52 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.86 | 1 |
| C2 | OMe | 55.31 | 1 |
| C3 | OMe | 55.43 | 1 |
| C4 | BOMe | 55.80 | 1 |
| C5 | BOMe | 55.80 | 1 |
| C11 | G | 60.13 | 1 |
| C12 | BA | 68.17 | 1 |
| C20 | A | 71.36 | 1 |
| C19 | B | 87.10 | 1 |
| C9 | B2 | 102.50 | 1 |
| C10 | B6 | 102.50 | 1 |
| C8 | A2 | 110.60 | 1 |
| C7 | A5 | 111.08 | 1 |
| C6 | A6 | 118.84 | 1 |
| C13 | A1 | 134.53 | 1 |
| C14 | B1 | 134.53 | 1 |
| C21 | B4 | 143.01 | 1 |
| C15 | A4 | 147.64 | 1 |
| C16 | A3 | 148.03 | 1 |
| C18 | B3 | 152.20 | 1 |
| C17 | B5 | 152.20 | 1 |