Lignin_cw_compound_2018 (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-5 Dimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 56.03 | 1 |
| C2 | B3OMe | 56.15 | 1 |
| C17 | B | 53.76 | 1 |
| C18 | A | 87.53 | 1 |
| C9 | A2 | 108.77 | 1 |
| C8 | B2 | 112.26 | 1 |
| C5 | A5 | 114.53 | 1 |
| C6 | BB | 114.91 | 1 |
| C7 | B6 | 118.63 | 1 |
| C4 | A6 | 119.49 | 1 |
| C12 | B5 | 125.93 | 1 |
| C10 | B1 | 128.29 | 1 |
| C11 | A1 | 131.44 | 1 |
| C3 | BA | 146.74 | 1 |
| C15 | B3 | 144.71 | 1 |
| C13 | A4 | 146.06 | 1 |
| C14 | A3 | 146.74 | 1 |
| C19 | B4 | 150.32 | 1 |
| C16 | BG | 171.34 | 1 |
| C20 | G | 173.67 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 56.31 | 1 |
| C2 | B3OMe | 56.49 | 1 |
| C17 | B | 56.22 | 1 |
| C18 | A | 88.56 | 1 |
| C9 | A2 | 110.72 | 1 |
| C8 | B2 | 113.34 | 1 |
| C5 | A5 | 115.78 | 1 |
| C6 | BB | 116.75 | 1 |
| C7 | B6 | 118.95 | 1 |
| C4 | A6 | 120.08 | 1 |
| C12 | B5 | 128.05 | 1 |
| C10 | B1 | 129.38 | 1 |
| C11 | A1 | 132.49 | 1 |
| C3 | BA | 145.59 | 1 |
| C15 | B3 | 145.73 | 1 |
| C13 | A4 | 147.81 | 1 |
| C14 | A3 | 148.53 | 1 |
| C19 | B4 | 150.96 | 1 |
| C16 | BG | 168.18 | 1 |
| C20 | G | 172.55 | 1 |
| H43 | A | 6.05 | 1 |
| H42 | B | 4.39 | 1 |
| H41 | A2 | 7.08 | 1 |
| H37 | A5 | 6.83 | 1 |
| H36 | A6 | 6.91 | 1 |
| H29 | A3OMe | 3.83 | 1 |
| H30 | A3OMe | 3.83 | 1 |
| H31 | A3OMe | 3.83 | 1 |
| H35 | BA | 7.62 | 1 |
| H38 | BB | 6.39 | 1 |
| H40 | B2 | 7.29 | 1 |
| H39 | B6 | 7.33 | 1 |
| H32 | B3OMe | 3.91 | 1 |
| H33 | B3OMe | 3.91 | 1 |
| H34 | B3OMe | 3.91 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 55.61 | 1 |
| C2 | B3OMe | 55.85 | 1 |
| C17 | B | 55.10 | 1 |
| C18 | A | 87.72 | 1 |
| C9 | A2 | 110.61 | 1 |
| C8 | B2 | 112.10 | 1 |
| C5 | A5 | 115.30 | 1 |
| C6 | BB | 116.43 | 1 |
| C7 | B6 | 117.93 | 1 |
| C4 | A6 | 119.50 | 1 |
| C12 | B5 | 127.82 | 1 |
| C10 | B1 | 130.69 | 1 |
| C11 | A1 | 137.46 | 1 |
| C3 | BA | 144.09 | 1 |
| C15 | B3 | 144.19 | 1 |
| C13 | A4 | 146.79 | 1 |
| C14 | A3 | 147.60 | 1 |
| C19 | B4 | 149.16 | 1 |
| C16 | BG | 167.79 | 1 |
| C20 | G | 171.66 | 1 |