Lignin_cw_compound_3014 (C20 H22 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 358.38508
This is of the category: b-b Dimers
Concentration: Saturated (Source: Liming Zhang)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C5 | A | 29.84 | 1 |
| C14 | BB | 46.24 | 1 |
| C13 | B | 47.00 | 1 |
| C19 | BA | 51.09 | 1 |
| C1 | OMe | 55.96 | 4 |
| C2 | OMe | 56.05 | 4 |
| C9 | BG | 72.06 | 1 |
| C20 | G | 98.75 | 1 |
| C37 | B2 | 112.38 | 1 |
| C7 | A2 | 112.84 | 1 |
| C4 | B5 | 115.51 | 1 |
| C8 | A5 | 116.17 | 1 |
| C3 | B6 | 121.75 | 1 |
| C11 | A1 | 128.34 | 1 |
| C12 | A6 | 133.42 | 1 |
| C10 | B1 | 137.28 | 1 |
| C16 | A4 | 145.11 | 1 |
| C15 | B4 | 145.93 | 1 |
| C18 | A3 | 146.61 | 1 |
| C17 | B3 | 148.24 | 1 |
| H42 | AB | 1.98 | 1 |
| H43 | BB | 2.54 | 1 |
| H35 | AA1 | 2.84 | 1 |
| H36 | AA2 | 3.00 | 1 |
| H40 | BG1 | 3.47 | 1 |
| H44 | BA | 3.64 | 1 |
| H41 | BG2 | 3.77 | 1 |
| H27 | OMe | 3.77 | 4 |
| H28 | OMe | 3.77 | 4 |
| H29 | OMe | 3.77 | 4 |
| H30 | OMe | 3.80 | 4 |
| H31 | OMe | 3.80 | 4 |
| H32 | OMe | 3.80 | 4 |
| H48 | AGOH | 4.99 | 1 |
| H45 | AG | 5.40 | 1 |
| H39 | A5 | 6.22 | 1 |
| H33 | B6 | 6.63 | 1 |
| H38 | A2 | 6.72 | 1 |
| H37 | B2 | 6.74 | 1 |
| H34 | B5 | 6.77 | 1 |
| H47 | A4OH | 7.17 | 1 |
| H46 | B4OH | 7.39 | 1 |