Lignin_cw_compound_3071 (C23 H26 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 446.44714
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GAcMe | 20.66 | 1 |
| C2 | A3OMe | 56.62 | 1 |
| C3 | B3OMe | 56.73 | 1 |
| C4 | B3OMe | 56.73 | 1 |
| C13 | G | 63.59 | 1 |
| C22 | A | 73.31 | 1 |
| C21 | B | 84.56 | 1 |
| C12 | A2 | 104.65 | 1 |
| C7 | A6 | 104.65 | 1 |
| C10 | B2 | 106.94 | 1 |
| C11 | B6 | 106.94 | 1 |
| C5 | BB | 129.11 | 1 |
| C15 | B1 | 131.09 | 1 |
| C16 | A1 | 131.65 | 1 |
| C17 | A4 | 136.04 | 1 |
| C23 | B4 | 139.26 | 1 |
| C18 | A3 | 148.51 | 1 |
| C8 | A5 | 148.51 | 1 |
| C6 | BA | 153.45 | 1 |
| C19 | B3 | 154.57 | 1 |
| C20 | B5 | 154.57 | 1 |
| C14 | GAcC=O | 167.76 | 1 |
| C9 | BG | 193.90 | 1 |
| H34 | GAcMe | 1.84 | 1 |
| H35 | GAcMe | 1.84 | 1 |
| H33 | GAcMe | 1.84 | 1 |
| H36 | A3OMe | 3.80 | 1 |
| H37 | A3OMe | 3.80 | 1 |
| H38 | A3OMe | 3.80 | 1 |
| H39 | B3OMe | 3.94 | 1 |
| H40 | B3OMe | 3.94 | 1 |
| H41 | B3OMe | 3.94 | 1 |
| H44 | B5OMe | 3.94 | 1 |
| H42 | B5OMe | 3.94 | 1 |
| H43 | B5OMe | 3.94 | 1 |
| H53 | G1 | 4.12 | 1 |
| H54 | G2 | 4.39 | 1 |
| H55 | B | 4.62 | 1 |
| H56 | A | 4.94 | 1 |
| H52 | A2 | 6.70 | 1 |
| H47 | A6 | 6.70 | 1 |
| H45 | BB | 6.77 | 1 |
| H50 | B2 | 7.12 | 1 |
| H51 | B6 | 7.12 | 1 |
| H46 | BA | 7.61 | 1 |
| H49 | BG | 9.67 | 1 |