Lignin_cw_compound_3070 (C22 H24 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 416.42116
This is of the category: 5-Hyroxyconiferyl alcohol 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 | Me | 14.6 | 1 |
| C3 | B3-OMe | 56.2 | 1 |
| C2 | A3-OMe | 56.3 | 1 |
| C12 | AG | 61.6 | 1 |
| C4 | CH2 | 61.6 | 1 |
| C21 | AA | 76.9 | 1 |
| C19 | AB | 79.5 | 1 |
| C9 | B2 | 104.7 | 1 |
| C10 | B6 | 111.1 | 1 |
| C11 | A2 | 111.7 | 1 |
| C7 | A5 | 115.7 | 1 |
| C8 | BB | 117.0 | 1 |
| C6 | A6 | 121.4 | 1 |
| C13 | B1 | 127.4 | 1 |
| C14 | A1 | 128.8 | 1 |
| C22 | B4 | 136.4 | 1 |
| C5 | BA | 145.2 | 1 |
| C18 | B5 | 145.3 | 1 |
| C15 | A4 | 147.8 | 1 |
| C17 | B3 | 148.3 | 1 |
| C16 | A3 | 150.1 | 1 |
| C20 | BG | 167.2 | 1 |
| H31 | Me | 1.25 | 1 |
| H32 | Me | 1.25 | 1 |
| H33 | Me | 1.25 | 1 |
| H49 | AG1 | 3.50 | 1 |
| H50 | AG2 | 3.83 | 1 |
| H37 | B3OMe | 3.85 | 1 |
| H38 | B3OMe | 3.85 | 1 |
| H39 | B3OMe | 3.85 | 1 |
| H34 | A3OMe | 3.92 | 1 |
| H35 | A3OMe | 3.92 | 1 |
| H36 | A3OMe | 3.92 | 1 |
| H51 | AB | 4.09 | 1 |
| H40 | CH2 | 4.17 | 1 |
| H41 | CH2 | 4.17 | 1 |
| H52 | AA | 4.98 | 1 |
| H45 | BB | 6.40 | 1 |
| H47 | B6 | 6.85 | 1 |
| H44 | A5 | 6.88 | 1 |
| H46 | B2 | 6.95 | 1 |
| H43 | A6 | 6.96 | 1 |
| H48 | A2 | 7.10 | 1 |
| H42 | BA | 7.54 | 1 |