Lignin_cw_compound_2045 (C28 H36 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 532.57944
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AGCH3 | 13.82 | 1 |
| C1 | CH3 | 14.93 | 1 |
| C3 | CH3 | 20.10 | 1 |
| C4 | OMe | 55.54 | 1 |
| C5 | OMe | 55.63 | 1 |
| C6 | 4CH2 | 61.01 | 1 |
| C7 | ACH2 | 61.84 | 1 |
| C14 | BCH2 | 64.82 | 1 |
| C15 | BCH2 | 64.82 | 1 |
| C26 | A | 73.57 | 1 |
| C27 | B | 83.09 | 1 |
| CX1 | ? | 100.92 | 1 |
| CX2 | ? | 103.59 | 1 |
| CX3 | ? | 110.04 | 1 |
| CX4 | ? | 110.76 | 1 |
| CX5 | ? | 117.40 | 1 |
| CX6 | ? | 118.63 | 1 |
| CX7 | ? | 119.09 | 1 |
| CX8 | ? | 120.07 | 1 |
| CX9 | ? | 124.08 | 1 |
| CX10 | ? | 131.25 | 1 |
| CX11 | ? | 133.82 | 1 |
| CX12 | ? | 133.84 | 1 |
| CX13 | ? | 134.08 | 1 |
| CX14 | ? | 145.39 | 1 |
| CX15 | ? | 147.22 | 1 |
| CX16 | ? | 150.12 | 1 |
| CX17 | ? | 150.40 | 1 |
| C28 | G | 169.03 | 1 |
| H39 | CH3 | 1.47 | 1 |
| H40 | CH3 | 1.47 | 1 |
| H41 | CH3 | 1.47 | 1 |
| H45 | CH3 | 1.47 | 1 |
| H46 | CH3 | 1.47 | 1 |
| H47 | CH3 | 1.47 | 1 |
| H73 | Bt | 4.56 | 1 |
| H73 | Be | 4.72 | 1 |
| H72 | At | 5.06 | 1 |
| H72 | Ae | 5.13 | 1 |
| H70 | A4CH | 5.32 | 1 |
| H71 | BG | 5.36 | 1 |
| H63 | BB | 6.03 | 1 |
| H59 | BA | 6.66 | 1 |