Lignin_cw_compound_1004 (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: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid
Concentration: Saturated (Source: Richard F. Helm)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.30 | 4 |
| C2 | OMe | 56.31 | 4 |
| C3 | OMe | 56.33 | 4 |
| C16 | G | 61.38 | 1 |
| C27 | A | 75.10 | 1 |
| C25 | B | 84.00 | 1 |
| C14 | C2 | 111.32 | 1 |
| C15 | A2 | 112.64 | 1 |
| C6 | B2 | 113.68 | 1 |
| C12 | A5 | 115.17 | 1 |
| C13 | CB | 115.84 | 1 |
| C11 | C5 | 116.01 | 1 |
| C7 | B5 | 119.07 | 1 |
| C5 | B6 | 121.77 | 1 |
| C10 | A6 | 121.82 | 1 |
| C4 | B1 | 123.28 | 1 |
| C8 | C6 | 124.00 | 1 |
| C17 | C1 | 127.40 | 1 |
| C18 | A1 | 129.62 | 1 |
| C9 | CA | 146.02 | 1 |
| C20 | A4 | 147.32 | 1 |
| C24 | A3 | 147.97 | 1 |
| C23 | C3 | 148.72 | 1 |
| C22 | B4 | 149.23 | 1 |
| C19 | C4 | 150.08 | 1 |
| C21 | B3 | 151.85 | 1 |
| C26 | CG | 166.35 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 56.28 | 4 |
| C2 | OMe | 56.30 | 4 |
| C3 | OMe | 56.32 | 4 |
| C16 | G | 61.48 | 1 |
| C27 | A | 75.09 | 1 |
| C25 | B | 84.02 | 1 |
| C14 | C2 | 111.29 | 1 |
| C15 | A2 | 112.60 | 1 |
| C6 | B2 | 113.66 | 1 |
| C12 | A5 | 115.22 | 1 |
| C13 | CB | 115.83 | 1 |
| C11 | C5 | 116.04 | 1 |
| C7 | B5 | 119.10 | 1 |
| C5 | B6 | 121.96 | 1 |
| C10 | A6 | 121.80 | 1 |
| C4 | B1 | 123.30 | 1 |
| C8 | C6 | 123.99 | 1 |
| C17 | C1 | 127.40 | 1 |
| C18 | A1 | 129.63 | 1 |
| C9 | CA | 146.02 | 1 |
| C20 | A4 | 147.36 | 1 |
| C24 | A3 | 147.98 | 1 |
| C23 | C3 | 148.71 | 1 |
| C22 | B4 | 149.19 | 1 |
| C19 | C4 | 150.09 | 1 |
| C21 | B3 | 151.84 | 1 |
| C26 | CG | 166.34 | 1 |
| H58 | G1 | 3.60 | 1 |
| H59 | G2 | 3.79 | 1 |
| H60 | B | 4.67 | 1 |
| H61 | A | 6.13 | 1 |
| H55 | CB | 6.39 | 1 |
| H51 | CA | 7.55 | 1 |