Lignin_cw_compound_2052 (C22 H22 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 414.40528
This is of the category: b-5 Dimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 14.63 | 1 |
| C19 | B | 55.43 | 1 |
| C2 | A3OMe | 56.30 | 1 |
| C3 | B3OMe | 56.47 | 1 |
| C4 | CH2 | 60.51 | 1 |
| C20 | A | 88.70 | 1 |
| C11 | A2 | 110.70 | 1 |
| C10 | B2 | 113.20 | 1 |
| C7 | A5 | 115.72 | 1 |
| C8 | BB | 116.46 | 1 |
| C9 | B6 | 119.08 | 1 |
| C6 | A6 | 120.05 | 1 |
| C14 | B5 | 128.35 | 1 |
| C12 | B1 | 129.20 | 1 |
| C13 | A1 | 132.64 | 1 |
| C5 | BA | 145.36 | 1 |
| C10 | B3 | 145.70 | 1 |
| C15 | A4 | 147.70 | 1 |
| C16 | A3 | 148.47 | 1 |
| C21 | B4 | 151.03 | 1 |
| C18 | BG | 167.31 | 1 |
| C22 | G | 172.24 | 1 |
| H49 | B | 4.37 | 1 |
| H50 | A | 6.06 | 1 |
| H45 | BB | 6.38 | 1 |
| H42 | BA | 7.60 | 1 |