Lignin_cw_compound_3029 (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: Misc. Compounds
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GAcMe | 20.70 | 1 |
| C2 | AAcMe | 21.01 | 1 |
| C11 | B | 35.78 | 1 |
| C3 | OMe | 56.16 | 1 |
| C12 | G | 61.20 | 1 |
| C14 | BA | 71.26 | 1 |
| C19 | A | 73.17 | 1 |
| C13 | A2 | 111.49 | 1 |
| C10 | A5 | 114.64 | 1 |
| C9 | A6 | 119.58 | 1 |
| C5 | B3 | 128.28 | 1 |
| C6 | B5 | 128.28 | 1 |
| C7 | B2 | 129.09 | 1 |
| C8 | B6 | 129.09 | 1 |
| C4 | B4 | 128.45 | 1 |
| C18 | A1 | 134.19 | 1 |
| C17 | B1 | 138.33 | 1 |
| C20 | A4 | 149.02 | 1 |
| C21 | A3 | 150.68 | 1 |
| C16 | AAcC=O | 170.17 | 1 |
| C15 | GAcC=O | 170.80 | 1 |
| H30 | GAcMe | 1.99 | 1 |
| H29 | GAcMe | 1.99 | 1 |
| H28 | GAcMe | 1.99 | 1 |
| H32 | AAcMe | 2.03 | 1 |
| H31 | AAcMe | 2.03 | 1 |
| H33 | AAcMe | 2.03 | 1 |
| H44 | B | 2.18 | 1 |
| H45 | B | 2.18 | 1 |
| H36 | OMe | 3.83 | 1 |
| H35 | OMe | 3.83 | 1 |
| H34 | OMe | 3.83 | 1 |
| H46 | G | 4.08 | 1 |
| H47 | G | 4.08 | 1 |
| H49 | BA | 5.09 | 1 |
| H50 | BA | 5.09 | 1 |
| H51 | A | 5.85 | 1 |
| H42 | A6 | 6.91 | 1 |
| H43 | A5 | 6.99 | 1 |
| H48 | A2 | 7.04 | 1 |
| H37 | BzH's | 7.395 | 1 |
| H38 | BzH's | 7.395 | 1 |
| H39 | BzH's | 7.395 | 1 |
| H40 | BzH's | 7.395 | 1 |
| H41 | BzH's | 7.395 | 1 |