Lignin_cw_compound_253 (C28 H24 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 504.48476
This is of the category: Misc. Compounds
Concentration: Saturated (Source: Larry L. Landucci)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.98 | 1 |
| C2 | AcMe | 20.98 | 1 |
| C3 | OMe | 56.30 | 1 |
| C16 | G | 66.01 | 1 |
| C17 | A2 | 111.31 | 1 |
| C6 | A6 | 120.16 | 1 |
| C11 | C3 | 122.93 | 1 |
| C12 | C5 | 122.93 | 1 |
| C56 | B3 | 123.16 | 1 |
| C57 | B5 | 123.16 | 1 |
| C15 | A5 | 123.95 | 1 |
| C4 | B | 124.89 | 1 |
| C22 | B1 | 127.72 | 1 |
| C21 | C1 | 128.57 | 1 |
| C50 | C2 | 131.77 | 1 |
| C51 | C6 | 131.77 | 1 |
| C9 | B2 | 132.34 | 1 |
| C10 | B6 | 132.34 | 1 |
| C5 | A | 134.01 | 1 |
| C20 | A1 | 136.55 | 1 |
| C25 | A4 | 140.81 | 1 |
| C26 | A3 | 152.54 | 1 |
| C23 | C4 | 155.72 | 1 |
| C24 | B4 | 156.13 | 1 |
| C28 | BA | 164.23 | 1 |
| C27 | CA | 165.84 | 1 |
| C18 | AcC=O | 169.29 | 1 |
| C19 | AcC=O | 169.29 | 1 |
| H38 | AcMe | 2.29 | 1 |
| H39 | AcMe | 2.29 | 1 |
| H40 | AcMe | 2.29 | 1 |
| H41 | AcMe | 2.31 | 1 |
| H42 | AcMe | 2.31 | 1 |
| H43 | AcMe | 2.31 | 1 |
| H44 | OMe | 3.84 | 1 |
| H45 | OMe | 3.84 | 1 |
| H46 | OMe | 3.84 | 1 |
| H59 | G | 5.00 | 1 |
| H60 | G | 5.00 | 1 |
| H47 | B | 6.55 | 1 |
| H48 | A | 6.85 | 1 |
| H49 | A6 | 7.13 | 1 |
| H58 | A5 | 7.20 | 1 |
| H54 | C3 | 7.28 | 1 |
| H55 | C5 | 7.28 | 1 |
| H61 | A2 | 7.33 | 1 |
| H56 | B3 | 7.35 | 1 |
| H57 | B5 | 7.35 | 1 |
| H50 | C2 | 8.11 | 1 |
| H51 | C6 | 8.11 | 1 |
| H52 | B2 | 8.21 | 1 |
| H53 | B6 | 8.21 | 1 |