Lignin_cw_compound_1022 (C33 H34 O12)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 622.61586
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 | 20.45 | 4 |
| C2 | AcMe | 20.45 | 4 |
| C3 | AcMe | 20.89 | 4 |
| C4 | OMe | 56.19 | 4 |
| C5 | OMe | 56.28 | 4 |
| C6 | OMe | 56.40 | 4 |
| C19 | G | 63.33 | 1 |
| C33 | A | 74.70 | 1 |
| C31 | B | 80.50 | 1 |
| C17 | C2 | 112.44 | 1 |
| C18 | A2 | 112.74 | 1 |
| C9 | B2 | 113.77 | 1 |
| C16 | CB | 118.63 | 1 |
| C10 | B5 | 119.97 | 1 |
| C13 | A6 | 120.44 | 1 |
| C8 | B6 | 121.65 | 1 |
| C11 | C6 | 122.25 | 1 |
| C15 | A5 | 123.38 | 1 |
| C7 | B1 | 124.41 | 1 |
| C14 | C5 | 124.41 | 1 |
| C23 | C1 | 134.11 | 1 |
| C24 | A1 | 136.73 | 1 |
| C28 | A4 | 140.79 | 1 |
| C27 | C4 | 142.74 | 1 |
| C12 | CA | 145.16 | 1 |
| C26 | B4 | 148.30 | 1 |
| C25 | B3 | 152.10 | 1 |
| C30 | A3 | 152.12 | 1 |
| C29 | C3 | 152.67 | 1 |
| C32 | CG | 166.67 | 1 |
| C20 | AcC=O | 168.80 | 4 |
| C21 | AcC=O | 168.90 | 4 |
| C22 | AcC=O | 169.94 | 4 |
| H76 | G1 | 4.40 | 1 |
| H77 | G2 | 4.49 | 1 |
| H78 | B | 4.92 | 1 |
| H79 | A | 6.13 | 1 |
| H73 | CB | 6.48 | 1 |
| H69 | CA | 7.53 | 1 |