Lignin_cw_compound_2062 (C21 H20 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 400.3787
This is of the category: b-b Dimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C18 | A | 46.46 | 1 |
| C19 | B | 48.06 | 1 |
| C3 | AGOMe | 52.25 | 1 |
| C1 | A3OMe | 56.18 | 1 |
| C2 | B3OMe | 56.36 | 1 |
| C7 | A2 | 112.01 | 1 |
| C8 | B2 | 113.11 | 1 |
| C4 | A5 | 115.52 | 1 |
| C9 | B5 | 116.75 | 1 |
| C4 | A6 | 120.82 | 1 |
| C13 | BB | 123.97 | 1 |
| C11 | B1 | 124.58 | 1 |
| C12 | B6 | 132.08 | 1 |
| C10 | A1 | 135.45 | 1 |
| C6 | BA | 138.07 | 1 |
| C14 | A4 | 146.14 | 1 |
| C17 | B3 | 147.51 | 1 |
| C16 | A3 | 148.11 | 1 |
| C15 | B4 | 149.34 | 1 |
| C20 | BG | 168.80 | 1 |
| C21 | AG | 173.44 | 1 |
| H36 | AGOMe | 3.55 | 1 |
| H37 | AGOMe | 3.55 | 1 |
| H38 | AGOMe | 3.55 | 1 |
| H30 | A3OMe | 3.74 | 1 |
| H31 | A3OMe | 3.74 | 1 |
| H32 | A3OMe | 3.74 | 1 |
| H35 | B3OMe | 3.87 | 1 |
| H34 | B3OMe | 3.87 | 1 |
| H33 | B3OMe | 3.87 | 1 |
| H46 | B | 3.96 | 1 |
| H45 | A | 4.51 | 1 |
| H39 | A6 | 6.43 | 1 |
| H40 | A5 | 6.657 | 1 |
| H44 | B5 | 6.661 | 1 |
| H42 | A2 | 6.77 | 1 |
| H43 | B2 | 7.06 | 1 |
| H41 | BA | 7.66 | 1 |