Lignin_cw_compound_2047 (C16 H20 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 308.3264
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 | CH3 | 14.09 | 1 |
| C2 | OMe | 55.84 | 1 |
| C3 | CH2 | 61.27 | 4 |
| C8 | CH2 | 65.01 | 4 |
| C9 | CH2 | 65.01 | 4 |
| C11 | CH2 | 66.42 | 4 |
| C42 | G | 103.90 | 1 |
| C10 | 2 | 109.88 | 1 |
| C6 | 5 | 113.88 | 1 |
| C4 | 6 | 120.14 | 1 |
| C7 | B | 123.75 | 1 |
| C5 | A | 130.39 | 1 |
| C12 | 1 | 134.47 | 1 |
| C14 | 3 | 147.58 | 1 |
| C13 | 4 | 149.56 | 1 |
| C15 | C=O | 168.78 | 1 |
| H23 | CH3 | 1.26 | 1 |
| H24 | CH3 | 1.26 | 1 |
| H25 | CH3 | 1.26 | 1 |
| H26 | OMe | 3.87 | 1 |
| H27 | OMe | 3.87 | 1 |
| H28 | OMe | 3.87 | 1 |
| H40 | CH2 | 3.975 | 4 |
| H41 | CH2 | 3.975 | 4 |
| H29 | CH2 | 4.24 | 4 |
| H30 | CH2 | 4.24 | 4 |
| H35 | CH2 | 4.67 | 4 |
| H36 | CH2 | 4.67 | 4 |
| H37 | CH2 | 4.67 | 4 |
| H38 | CH2 | 4.67 | 4 |
| H42 | G | 5.39 | 1 |
| H34 | B | 6.05 | 1 |
| H32 | A | 6.69 | 1 |
| H33 | 5 | 6.76 | 1 |
| H31 | 6 | 6.90 | 1 |
| H39 | 2 | 6.99 | 1 |