Lignin_cw_compound_3042 (C26 H26 O12)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 530.47744
This is of the category: b-b Dimers
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.18 | 1 |
| C1 | AcMe | 20.18 | 1 |
| C20 | B | 48.76 | 1 |
| C19 | B | 48.76 | 1 |
| C5 | 3OMe | 55.56 | 1 |
| C3 | 3OMe | 55.56 | 1 |
| C6 | 5OMe | 55.56 | 1 |
| C4 | 5OMe | 55.56 | 1 |
| C22 | A | 82.61 | 1 |
| C21 | A | 82.61 | 1 |
| C9 | 2 | 103.05 | 1 |
| C7 | 2 | 103.05 | 1 |
| C10 | 6 | 103.05 | 1 |
| C8 | 6 | 103.05 | 1 |
| C24 | 4 | 129.76 | 1 |
| C23 | 4 | 129.76 | 1 |
| C14 | 1 | 137.84 | 1 |
| C13 | 1 | 137.84 | 1 |
| C17 | 3 | 153.54 | 1 |
| C15 | 3 | 153.54 | 1 |
| C18 | 5 | 153.54 | 1 |
| C16 | 5 | 153.54 | 1 |
| C12 | AcC=O | 168.50 | 1 |
| C11 | AcC=O | 168.50 | 1 |
| C26 | G | 175.77 | 1 |
| C25 | G | 175.77 | 1 |
| H44 | AcMe | 2.23 | 1 |
| H42 | AcMe | 2.23 | 1 |
| H43 | AcMe | 2.23 | 1 |
| H39 | AcMe | 2.23 | 1 |
| H40 | AcMe | 2.23 | 1 |
| H41 | AcMe | 2.23 | 1 |
| H52 | OMe | 3.81 | 1 |
| H51 | OMe | 3.81 | 1 |
| H53 | OMe | 3.81 | 1 |
| H54 | OMe | 3.81 | 1 |
| H56 | OMe | 3.81 | 1 |
| H55 | OMe | 3.81 | 1 |
| H45 | OMe | 3.81 | 1 |
| H47 | OMe | 3.81 | 1 |
| H46 | OMe | 3.81 | 1 |
| H49 | OMe | 3.81 | 1 |
| H50 | OMe | 3.81 | 1 |
| H48 | OMe | 3.81 | 1 |
| H62 | B | 4.20 | 1 |
| H61 | B | 4.20 | 1 |
| H64 | A | 5.86 | 1 |
| H63 | A | 5.86 | 1 |
| H59 | 2 | 6.81 | 1 |
| H57 | 2 | 6.81 | 1 |
| H60 | 6 | 6.81 | 1 |
| H58 | 6 | 6.81 | 1 |