Lignin_cw_compound_1010 (C31 H30 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 578.5633
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 | AcMe | 20.44 | 1 |
| C2 | AcMe | 20.44 | 1 |
| C3 | OMe | 56.10 | 4 |
| C4 | OMe | 56.40 | 4 |
| C5 | OMe | 56.43 | 4 |
| C18 | G | 64.93 | 1 |
| C29 | B | 80.54 | 1 |
| C16 | C2 | 112.41 | 1 |
| C17 | A2 | 113.48 | 1 |
| C8 | B2 | 113.83 | 1 |
| C15 | CB | 118.44 | 1 |
| C9 | B5 | 118.62 | 1 |
| C7 | B6 | 121.64 | 1 |
| C10 | C6 | 122.35 | 1 |
| C12 | A6 | 122.87 | 1 |
| C14 | A5 | 124.03 | 1 |
| C6 | B1 | 124.06 | 1 |
| C13 | C5 | 124.15 | 1 |
| C21 | C1 | 134.01 | 1 |
| C22 | A1 | 134.85 | 1 |
| C25 | C4 | 142.83 | 1 |
| C26 | A4 | 145.35 | 1 |
| C11 | CA | 145.50 | 1 |
| C24 | B4 | 147.82 | 1 |
| C23 | B3 | 151.40 | 1 |
| C28 | A3 | 152.50 | 1 |
| C27 | C3 | 152.69 | 1 |
| C30 | CG | 166.81 | 1 |
| C19 | AcC=O | 168.58 | 4 |
| C20 | AcC=O | 168.80 | 4 |
| C31 | A | 195.11 | 1 |
| H70 | G1 | 4.61 | 1 |
| H71 | G2 | 4.81 | 1 |
| H72 | B | 5.91 | 1 |
| H67 | CB | 6.52 | 1 |
| H63 | CA | 7.58 | 1 |