Lignin_cw_compound_2067 (C20 H22 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 390.38388
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain, a-C=O
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.20 | 1 |
| C2 | B3OMe | 56.11 | 1 |
| C3 | OMe | 56.62 | 1 |
| C4 | OMe | 56.62 | 1 |
| C11 | G | 63.90 | 1 |
| C18 | B | 84.04 | 1 |
| C9 | A2 | 106.56 | 1 |
| C10 | A6 | 106.56 | 1 |
| C7 | B2 | 113.67 | 1 |
| C8 | B5 | 117.03 | 1 |
| C9 | B6 | 121.61 | 1 |
| C5 | B1 | 123.24 | 1 |
| C20 | A4 | 133.99 | 1 |
| C13 | A1 | 134.39 | 1 |
| C15 | B4 | 148.26 | 1 |
| C14 | B3 | 151.03 | 1 |
| C16 | A3 | 153.25 | 1 |
| C17 | A5 | 153.25 | 1 |
| C12 | AcC=O | 168.15 | 1 |
| C19 | A | 196.77 | 1 |
| H33 | B3OMe | 3.77 | 1 |
| H32 | B3OMe | 3.77 | 1 |
| H34 | B3OMe | 3.77 | 1 |
| H35 | OMe | 3.85 | 1 |
| H36 | OMe | 3.85 | 1 |
| H37 | OMe | 3.85 | 1 |
| H39 | OMe | 3.85 | 1 |
| H40 | OMe | 3.85 | 1 |
| H38 | OMe | 3.85 | 1 |
| H47 | G | 4.10 | 1 |
| H48 | G | 4.10 | 1 |
| H50 | GOH | 4.28 | 1 |
| H49 | B | 5.56 | 1 |
| H45 | A2 | 7.49 | 1 |
| H46 | A6 | 7.49 | 1 |
| H42 | B6 | 6.80 | 1 |
| H41 | B1 | 6.41 | 1 |
| H44 | B5 | 6.41 | 1 |
| H43 | B2 | 6.96 | 1 |