Lignin_cw_compound_2017 (C40 H44 O12)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 716.77016
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 |
|---|---|---|---|
| C30 | CB | 54.28 | 1 |
| C3 | A3OMe | 55.83 | 1 |
| C1 | A4OMe | 55.80 | 1 |
| C2 | BOMe | 56.09 | 1 |
| C5 | DOMe | 56.20 | 1 |
| C4 | COMe | 56.33 | 1 |
| C24 | G | 61.20 | 1 |
| C16 | BG | 62.77 | 1 |
| C17 | DG | 62.85 | 1 |
| C23 | CG | 64.18 | 1 |
| C40 | A | 80.10 | 1 |
| C38 | B | 83.86 | 1 |
| C39 | CA | 87.80 | 1 |
| C19 | B2 | 110.71 | 1 |
| C21 | C2 | 110.98 | 1 |
| C20 | D2 | 111.35 | 1 |
| C14 | A5 | 111.67 | 1 |
| C22 | A2 | 112.04 | 1 |
| C18 | D6 | 115.96 | 1 |
| C15 | C5 | 116.41 | 1 |
| C13 | B5 | 117.55 | 1 |
| C12 | C6 | 118.42 | 1 |
| C10 | B6 | 119.99 | 1 |
| C11 | A6 | 120.96 | 1 |
| C7 | DB | 127.73 | 1 |
| C6 | BB | 128.64 | 1 |
| C8 | BA | 130.02 | 1 |
| C29 | D5 | 129.64 | 1 |
| C9 | DA | 130.57 | 1 |
| C28 | A1 | 130.94 | 1 |
| C26 | D1 | 131.83 | 1 |
| C28 | B1 | 132.11 | 1 |
| C27 | C1 | 136.08 | 1 |
| C37 | D3 | 144.75 | 1 |
| C33 | C4 | 147.31 | 1 |
| C32 | B4 | 147.98 | 1 |
| C41 | D4 | 148.27 | 1 |
| C34 | A3 | 149.45 | 1 |
| C31 | A4 | 149.48 | 1 |
| C36 | C3 | 150.58 | 1 |
| C34 | B3 | 150.83 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| H95 | AA | 5.48 | 1 |
| H93 | AB | 4.62 | 1 |
| H90 | AG1 | 3.80 | 1 |
| H91 | AG2 | 3.91 | 1 |
| H94 | CA | 5.51 | 1 |
| H30 | CB | 3.43 | 1 |
| H88 | CG1 | 3.69 | 1 |
| H89 | CG2 | 3.80 | 1 |