Lignin_cw_compound_1017 (C27 H28 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 496.50582
This is of the category: Trimers Containing Ferulic or Coumaric Acid
Concentration: Saturated (Source: Richard F. Helm)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.20 | 4 |
| C2 | OMe | 56.26 | 4 |
| C3 | OMe | 56.32 | 4 |
| C16 | G | 64.16 | 1 |
| C27 | A | 73.94 | 1 |
| C25 | B | 84.48 | 1 |
| C56 | C2 | 111.37 | 1 |
| C15 | A2 | 111.46 | 1 |
| C6 | B2 | 113.60 | 1 |
| C12 | A5 | 115.33 | 1 |
| C13 | CB | 115.47 | 1 |
| C11 | C5 | 116.05 | 1 |
| C7 | B5 | 119.39 | 1 |
| C10 | A6 | 120.56 | 1 |
| C5 | B6 | 121.81 | 1 |
| C4 | B1 | 123.54 | 1 |
| C8 | C6 | 123.90 | 1 |
| C17 | C1 | 127.35 | 1 |
| C18 | A1 | 133.16 | 1 |
| C9 | CA | 145.91 | 1 |
| C20 | A4 | 147.01 | 1 |
| C24 | A3 | 148.08 | 1 |
| C23 | C3 | 148.71 | 1 |
| C22 | B4 | 149.36 | 1 |
| C19 | C4 | 150.09 | 1 |
| C23 | B3 | 151.80 | 1 |
| C26 | CG | 167.14 | 1 |
| H61 | A | 4.96 | 1 |
| H60 | B | 4.56 | 1 |
| H59 | G2 | 4.36 | 1 |
| H58 | G1 | 4.10 | 1 |
| H55 | CB | 6.33 | 1 |
| H51 | CA | 7.45 | 1 |