Lignin_cw_compound_2050 (C24 H28 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 444.47432
This is of the category: Misc. Compounds
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | ACH3 | 14.19 | 1 |
| C1 | BCH3 | 14.22 | 1 |
| C12 | BB | 36.90 | 1 |
| C16 | BA | 42.15 | 1 |
| C22 | A | 51.31 | 1 |
| C3 | A3OMe | 55.93 | 1 |
| C4 | B3OMe | 56.10 | 1 |
| C23 | B | 58.66 | 1 |
| C5 | BCH2 | 60.47 | 1 |
| C6 | ACH2 | 60.63 | 1 |
| C11 | B2 | 106.61 | 1 |
| C15 | B5 | 110.87 | 1 |
| C9 | A2 | 110.99 | 1 |
| C8 | A5 | 114.29 | 1 |
| C7 | A6 | 121.39 | 1 |
| C13 | A1 | 134.34 | 1 |
| C14 | B1 | 135.12 | 1 |
| C15 | B6 | 137.10 | 1 |
| C17 | A4 | 144.54 | 1 |
| C18 | B4 | 145.61 | 1 |
| C20 | B3 | 146.04 | 1 |
| C19 | A3 | 146.50 | 1 |
| C21 | BG | 172.30 | 1 |
| C24 | G | 172.43 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | ACH3 | 14.52 | 1 |
| C1 | BCH3 | 14.47 | 1 |
| C12 | BB | 37.50 | 1 |
| C16 | BA | 43.06 | 1 |
| C22 | A | 52.35 | 1 |
| C3 | A3OMe | 56.23 | 1 |
| C4 | B3OMe | 56.39 | 1 |
| C23 | B | 59.09 | 1 |
| C5 | BCH2 | 60.79 | 1 |
| C6 | ACH2 | 60.95 | 1 |
| C11 | B2 | 108.23 | 1 |
| C15 | B5 | 112.04 | 1 |
| C9 | A2 | 112.60 | 1 |
| C8 | A5 | 115.76 | 1 |
| C7 | A6 | 121.75 | 1 |
| C13 | A1 | 135.02 | 1 |
| C14 | B1 | 135.58 | 1 |
| C15 | B6 | 137.90 | 1 |
| C17 | A4 | 146.45 | 1 |
| C18 | B4 | 147.43 | 1 |
| C20 | B3 | 147.92 | 1 |
| C19 | A3 | 148.37 | 1 |
| C21 | BG | 172.45 | 1 |
| C24 | G | 173.00 | 1 |
| H54 | BB1 | 2.43 | 1 |
| H55 | BB2 | 2.61 | 1 |
| H58 | B | 3.43 | 1 |
| H56 | BA | 3.90 | 1 |
| H57 | A | 4.56 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | ACH3 | 13.97 | 1 |
| C1 | BCH3 | 14.07 | 1 |
| C12 | BB | 36.41 | 1 |
| C16 | BA | 41.74 | 1 |
| C22 | A | 50.93 | 1 |
| C3 | A3OMe | 55.56 | 1 |
| C4 | B3OMe | 55.64 | 1 |
| C23 | B | 56.96 | 1 |
| C5 | BCH2 | 59.94 | 1 |
| C6 | ACH2 | 60.07 | 1 |
| C11 | B2 | 107.86 | 1 |
| C15 | B5 | 111.25 | 1 |
| C9 | A2 | 112.08 | 1 |
| C8 | A5 | 115.32 | 1 |
| C7 | A6 | 120.35 | 1 |
| C13 | A1 | 133.25 | 1 |
| C14 | B1 | 133.61 | 1 |
| C15 | B6 | 136.47 | 1 |
| C17 | A4 | 145.36 | 1 |
| C18 | B4 | 146.34 | 1 |
| C20 | B3 | 147.08 | 1 |
| C19 | A3 | 147.51 | 1 |
| C21 | BG | 171.45 | 1 |
| C24 | G | 172.10 | 1 |