Lignin_cw_compound_2032 (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 |
|---|---|---|---|
| C3 | BGOMe | 52.28 | 1 |
| C2 | B3OMe | 56.04 | 1 |
| C1 | A3OMe | 56.04 | 1 |
| C10 | A2 | 113.40 | 1 |
| C11 | B2 | 113.54 | 1 |
| C6 | A5 | 115.95 | 1 |
| C7 | B5 | 115.97 | 1 |
| C4 | A6 | 125.60 | 1 |
| C14 | B | 125.67 | 1 |
| C15 | BB | 125.67 | 1 |
| C5 | B6 | 125.73 | 1 |
| C12 | A1 | 127.78 | 1 |
| C13 | B1 | 127.81 | 1 |
| C9 | BA | 142.36 | 1 |
| C8 | A | 142.47 | 1 |
| C19 | B3 | 148.19 | 1 |
| C18 | A3 | 148.20 | 1 |
| C16 | A4 | 149.32 | 1 |
| C17 | B4 | 149.37 | 1 |
| C21 | BG | 168.22 | 1 |
| C20 | G | 168.53 | 1 |
| H36 | BGOMe | 3.66 | 1 |
| H37 | BGOMe | 3.66 | 1 |
| H38 | BGOMe | 3.66 | 1 |
| H31 | A3OMe | 3.72 | 1 |
| H32 | A3OMe | 3.72 | 1 |
| H30 | A3OMe | 3.72 | 1 |
| H34 | B3OMe | 3.73 | 1 |
| H35 | B3OMe | 3.73 | 1 |
| H33 | B3OMe | 3.73 | 1 |
| H41 | A5 | 6.78 | 1 |
| H42 | B5 | 6.78 | 1 |
| H39 | B6 | 7.11 | 1 |
| H40 | A6 | 7.09 | 1 |
| H45 | A2 | 7.25 | 1 |
| H46 | B2 | 7.30 | 1 |
| H44 | BA | 7.81 | 1 |
| H43 | A | 7.84 | 1 |