Lignin_cw_compound_2031 (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 |
|---|---|---|---|
| C1 | OMe | 56.05 | 1 |
| C2 | OMe | 56.05 | 1 |
| C9 | 2 | 113.51 | 1 |
| C10 | 2 | 113.51 | 1 |
| C5 | 5 | 115.93 | 1 |
| C6 | 5 | 115.93 | 1 |
| C3 | 6 | 125.60 | 1 |
| C4 | 6 | 125.60 | 1 |
| C13 | B | 126.15 | 1 |
| C14 | B | 126.15 | 1 |
| C11 | 1 | 127.94 | 1 |
| C12 | 1 | 127.94 | 1 |
| C7 | A | 142.26 | 1 |
| C5 | A | 142.26 | 1 |
| C17 | 3 | 148.19 | 1 |
| C18 | 3 | 148.19 | 1 |
| C15 | 4 | 149.25 | 1 |
| C16 | 4 | 149.25 | 1 |
| C19 | G | 168.46 | 1 |
| C20 | G | 168.46 | 1 |
| H30 | OMe | 3.74 | 1 |
| H31 | OMe | 3.74 | 1 |
| H29 | OMe | 3.74 | 1 |
| H33 | OMe | 3.74 | 1 |
| H34 | OMe | 3.74 | 1 |
| H32 | OMe | 3.74 | 1 |
| H37 | 5 | 6.78 | 1 |
| H38 | 5 | 6.78 | 1 |
| H35 | 6 | 7.11 | 1 |
| H36 | 6 | 7.11 | 1 |
| H41 | 2 | 7.31 | 1 |
| H42 | 2 | 7.31 | 1 |
| H39 | A | 7.83 | 1 |
| H40 | A | 7.83 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | OMe | 55.28 | 1 |
| C2 | OMe | 55.28 | 1 |
| C9 | 2 | 113.23 | 1 |
| C10 | 2 | 113.23 | 1 |
| C5 | 5 | 115.47 | 1 |
| C6 | 5 | 115.47 | 1 |
| C3 | 6 | 124.11 | 1 |
| C4 | 6 | 124.11 | 1 |
| C13 | B | 125.12 | 1 |
| C14 | B | 125.12 | 1 |
| C11 | 1 | 126.13 | 1 |
| C12 | 1 | 126.13 | 1 |
| C7 | A | 140.40 | 1 |
| C5 | A | 140.40 | 1 |
| C17 | 3 | 147.29 | 1 |
| C18 | 3 | 147.29 | 1 |
| C15 | 4 | 148.37 | 1 |
| C16 | 4 | 148.37 | 1 |
| C19 | G | 168.06 | 1 |
| C20 | G | 168.06 | 1 |