Lignin_cw_compound_2051 (C21 H24 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 372.41166
This is of the category: b-5 Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C16 | B | 54.81 | 1 |
| C2 | A3OMe | 56.12 | 1 |
| C1 | A4OMe | 56.12 | 1 |
| C3 | B3OMe | 56.39 | 1 |
| C8 | BG | 63.38 | 1 |
| C12 | G | 64.65 | 1 |
| C20 | A | 88.34 | 1 |
| C11 | A2 | 110.84 | 1 |
| C10 | B2 | 111.74 | 1 |
| C7 | A5 | 112.67 | 1 |
| C9 | B6 | 116.08 | 1 |
| C6 | A6 | 119.02 | 1 |
| C4 | BB | 128.42 | 1 |
| C15 | B5 | 130.30 | 1 |
| C5 | BA | 130.49 | 1 |
| C13 | B1 | 132.00 | 1 |
| C14 | A1 | 135.59 | 1 |
| C19 | B3 | 145.18 | 1 |
| C21 | B4 | 148.93 | 1 |
| C17 | A4 | 150.15 | 1 |
| C18 | A3 | 150.45 | 1 |
| H48 | B | 3.52 | 1 |
| H33 | A3OMe | 3.77 | 1 |
| H32 | A3OMe | 3.77 | 1 |
| H31 | A3OMe | 3.77 | 1 |
| H30 | A4OMe | 3.78 | 1 |
| H29 | A4OMe | 3.78 | 1 |
| H28 | A4OMe | 3.78 | 1 |
| H34 | B3OMe | 3.86 | 1 |
| H35 | B3OMe | 3.86 | 1 |
| H36 | B3OMe | 3.86 | 1 |
| H46 | G | 3.86 | 1 |
| H47 | G | 3.86 | 1 |
| H50 | BGOH | 4.14 | 1 |
| H41 | BG | 4.19 | 1 |
| H42 | BG | 4.19 | 1 |
| H49 | A | 5.58 | 1 |
| H37 | BB | 6.23 | 1 |
| H38 | BA | 6.52 | 1 |
| H40 | A5 | 6.91 | 1 |
| H39 | A6 | 8.305 | 1 |
| H43 | B6 | 8.305 | 1 |
| H44 | B2 | 8.305 | 1 |
| H45 | A2 | 7.03 | 1 |