Lignin_cw_compound_3009 (C46 H50 O18)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 890.8784
This is of the category: Tetramers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.26 | 4 |
| C4 | AcMe | 20.61 | 4 |
| C6 | AcMe | 20.93 | 4 |
| C8 | OMe | 56.17 | 4 |
| C10 | OMe | 56.52 | 4 |
| C24 | G | 63.51 | 1 |
| C44 | A | 75.31 | 1 |
| C42 | B | 80.70 | 1 |
| C46 | A2 | 111.90 | 1 |
| C16 | B2 | 113.72 | 1 |
| C18 | B5 | 119.41 | 1 |
| C20 | A6 | 121.64 | 1 |
| C14 | B6 | 121.68 | 1 |
| C12 | B1 | 123.87 | 1 |
| C34 | A5 | 131.91 | 1 |
| C32 | A1 | 135.93 | 1 |
| C46 | A4 | 138.48 | 1 |
| C38 | B4 | 148.99 | 1 |
| C36 | B3 | 151.87 | 1 |
| C40 | A3 | 152.58 | 1 |
| C6 | 4AcC=O | 168.88 | 1 |
| C4 | AAcC=O | 170.09 | 1 |
| C26 | GAcC=O | 170.71 | 1 |
| C24 | G | 62.95 | 1 |
| C44 | A | 74.59 | 1 |
| C42 | B | 80344 | 1 |
| C14 | B5 | 120.09 | 1 |
| C38 | B1 | 124.19 | 1 |
| C34 | A5 | 131.70 | 1 |
| C46 | A4 | 138.36 | 1 |
| C12 | B4 | 148.19 | 1 |
| C16 | B3 | 152.11 | 1 |
| H86 | OMe | 3.77 | 4 |
| H88 | OMe | 3.77 | 4 |
| H87 | OMe | 3.77 | 4 |
| H93 | OMe | 3.85 | 4 |
| H94 | OMe | 3.85 | 4 |
| H92 | OMe | 3.85 | 4 |
| H109 | G1 | 4.09 | 2 |
| H110 | G2 | 4.29 | 2 |
| H112 | B | 4.78 | 1 |
| H114 | A | 6.08 | 1 |
| H104 | A6 | 6.85 | 1 |
| H102 | B6 | 6.85 | 1 |
| H96 | B1 | 6.08 | 1 |
| H100 | B2 | 6.96 | 1 |
| H102 | B5 | 6.99 | 1 |
| H103 | A2 | 7.02 | 1 |