Lignin_cw_compound_2036 (C20 H18 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 386.35212
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 |
|---|---|---|---|
| C17 | A | 46.00 | 1 |
| C18 | B | 48.08 | 1 |
| C1 | A3OMe | 56.19 | 1 |
| C2 | B3OMe | 56.39 | 1 |
| C6 | A2 | 111.98 | 1 |
| C7 | B2 | 113.06 | 1 |
| C4 | A5 | 115.48 | 1 |
| C8 | B5 | 116.92 | 1 |
| C3 | A6 | 120.67 | 1 |
| C12 | BB | 124.34 | 1 |
| C10 | B1 | 124.64 | 1 |
| C11 | B6 | 132.35 | 1 |
| C9 | A1 | 136.12 | 1 |
| C5 | BA | 137.58 | 1 |
| C13 | A4 | 146.06 | 1 |
| C16 | B3 | 147.48 | 1 |
| C15 | A3 | 148.10 | 1 |
| C14 | B4 | 149.29 | 1 |
| C19 | BG | 169.32 | 1 |
| C20 | G | 173.62 | 1 |
| H29 | A3OMe | 3.74 | 1 |
| H31 | A3OMe | 3.74 | 1 |
| H30 | A3OMe | 3.74 | 1 |
| H34 | B3OMe | 3.86 | 1 |
| H33 | B3OMe | 3.86 | 1 |
| H32 | B3OMe | 3.86 | 1 |
| H42 | B | 3.88 | 1 |
| H41 | A | 4.61 | 1 |
| H35 | A6 | 6.42 | 1 |
| H36 | A5 | 6.64 | 1 |
| H40 | B5 | 6.71 | 1 |
| H38 | A2 | 6.79 | 1 |
| H39 | B2 | 7.04 | 1 |
| H37 | BA | 7.60 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C17 | A | 44.25 | 1 |
| C18 | B | 47.80 | 1 |
| C1 | A3OMe | 55.59 | 1 |
| C2 | B3OMe | 55.76 | 1 |
| C6 | A2 | 111.57 | 1 |
| C7 | B2 | 112.63 | 1 |
| C4 | A5 | 115.13 | 1 |
| C8 | B5 | 116.23 | 1 |
| C3 | A6 | 119.30 | 1 |
| C12 | BB | 123.07 | 1 |
| C10 | B1 | 124.67 | 1 |
| C11 | B6 | 130.85 | 1 |
| C9 | A1 | 134.50 | 1 |
| C5 | BA | 135.09 | 1 |
| C13 | A4 | 145.04 | 1 |
| C16 | B3 | 146.46 | 1 |
| C15 | A3 | 147.28 | 1 |
| C14 | B4 | 147.99 | 1 |
| C19 | BG | 169.23 | 1 |
| C20 | G | 173.27 | 1 |