Lignin_cw_compound_3005 (C25 H28 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 488.48382
This is of the category: b-1 Dimers
Concentration: Saturated (Source: Liming Zhang)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.41 | 4 |
| C2 | AcMe | 20.44 | 4 |
| C3 | AcMe | 20.72 | 4 |
| C4 | AcMe | 21.01 | 4 |
| C20 | B | 50.71 | 1 |
| C5 | OMe | 56.18 | 4 |
| C6 | OMe | 56.21 | 4 |
| C13 | G | 64.71 | 1 |
| C25 | A | 76.50 | 1 |
| C12 | A2 | 112.51 | 1 |
| C11 | B2 | 114.33 | 1 |
| C8 | A6 | 119.77 | 1 |
| C7 | B6 | 121.85 | 1 |
| C10 | A5 | 123.14 | 1 |
| C9 | B5 | 123.22 | 1 |
| C18 | B1 | 137.82 | 1 |
| C19 | A1 | 138.39 | 1 |
| C21 | B4 | 139.96 | 1 |
| C22 | A4 | 140.35 | 1 |
| C23 | B3 | 151.76 | 1 |
| C24 | A3 | 151.85 | 1 |
| C15 | AcC=O | 168.84 | 4 |
| C16 | AcC=O | 168.88 | 4 |
| C17 | AAcC=O | 170.01 | 1 |
| C14 | GAcC=O | 170.81 | 1 |
| H37 | GAcMe | 1.93 | 1 |
| H36 | GAcMe | 1.93 | 1 |
| H38 | GAcMe | 1.93 | 1 |
| H46 | AAcMe | 2.09 | 1 |
| H47 | AAcMe | 2.09 | 1 |
| H45 | AAcMe | 2.09 | 1 |
| H40 | AcMe | 2.18 | 4 |
| H39 | AcMe | 2.18 | 4 |
| H41 | AcMe | 2.18 | 4 |
| H44 | AcMe | 2.19 | 4 |
| H42 | AcMe | 2.19 | 4 |
| H43 | AcMe | 2.19 | 4 |
| H62 | B | 3.56 | 1 |
| H49 | OMe | 3.67 | 4 |
| H48 | OMe | 3.67 | 4 |
| H50 | OMe | 3.67 | 4 |
| H53 | OMe | 3.71 | 4 |
| H51 | OMe | 3.71 | 4 |
| H52 | OMe | 3.71 | 4 |
| H60 | G1 | 4.38 | 1 |
| H61 | G2 | 4.54 | 1 |
| H63 | A | 6.02 | 1 |
| H54 | B6 | 6.77 | 1 |
| H59 | A2 | 6.79 | 1 |
| H55 | A6 | 6.82 | 1 |
| H58 | B2 | 6.85 | 1 |
| H56 | B5 | 6.90 | 1 |
| H57 | A5 | 6.91 | 1 |