Lignin_cw_compound_1023 (C32 H32 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 592.58988
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 | AcMe | 20.59 | 4 |
| C2 | AcMe | 20.92 | 4 |
| C3 | AcMe | 20.96 | 4 |
| C4 | OMe | 56.30 | 4 |
| C5 | OMe | 56.20 | 4 |
| C19 | G | 63.60 | 1 |
| C32 | A | 75.40 | 1 |
| C30 | B | 80.70 | 1 |
| C18 | A2 | 112.70 | 1 |
| C8 | B2 | 113.74 | 1 |
| C17 | CB | 117.92 | 1 |
| C9 | B5 | 119.23 | 1 |
| C13 | A6 | 120.34 | 1 |
| C7 | B6 | 121.68 | 1 |
| C14 | C3 | 123.31 | 1 |
| C15 | C5 | 123.31 | 1 |
| C16 | A5 | 123.64 | 1 |
| C6 | B1 | 123.72 | 1 |
| C10 | C2 | 130.44 | 1 |
| C11 | C6 | 130.44 | 1 |
| C23 | C1 | 132.72 | 1 |
| C24 | A1 | 136.78 | 1 |
| C28 | A4 | 140.83 | 1 |
| C12 | CA | 146.05 | 1 |
| C27 | B4 | 149.08 | 1 |
| C26 | B3 | 151.84 | 1 |
| C29 | A3 | 152.30 | 1 |
| C28 | C4 | 153.74 | 1 |
| C31 | CG | 164.91 | 1 |
| C20 | AcC=O | 169.42 | 4 |
| C21 | AcC=O | 170.01 | 4 |
| C22 | AcC=O | 170.68 | 4 |
| H65 | CA | 7.84 | 1 |
| H70 | CB | 6.74 | 1 |
| H75 | A | 6.14 | 1 |
| H74 | B | 4.81 | 1 |
| H72 | G1 | 4.28 | 1 |
| H73 | G2 | 4.04 | 1 |