Lignin_cw_compound_3051 (C27 H30 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 482.5223
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | CH3 | 14.30 | 1 |
| C4 | AOMe | 56.15 | 1 |
| C2 | BOMe | 56.42 | 1 |
| C3 | BOMe | 56.42 | 1 |
| C5 | CH2 | 60.68 | 1 |
| C17 | CA | 71.38 | 1 |
| C24 | A | 76.04 | 1 |
| C26 | B | 90.35 | 1 |
| C12 | B2 | 106.26 | 1 |
| C13 | B6 | 106.26 | 1 |
| C16 | A2 | 112.09 | 1 |
| C15 | A5 | 114.61 | 1 |
| C14 | A6 | 120.46 | 1 |
| C9 | B1 | 125.18 | 1 |
| C10 | C2 | 128.33 | 1 |
| C11 | C6 | 128.33 | 1 |
| C6 | C4 | 128.44 | 1 |
| C7 | C3 | 129.11 | 1 |
| C8 | C5 | 129.11 | 1 |
| C19 | A1 | 132.51 | 1 |
| C25 | B4 | 138.07 | 1 |
| C18 | C1 | 138.56 | 1 |
| C20 | A4 | 149.17 | 1 |
| C23 | A3 | 150.62 | 1 |
| C21 | B3 | 153.39 | 1 |
| C22 | B5 | 153.39 | 1 |
| C27 | G | 169.49 | 1 |
| H38 | CH3 | 0.99 | 1 |
| H37 | CH3 | 0.99 | 1 |
| H36 | CH3 | 0.99 | 1 |
| H45 | AOMe | 3.79 | 1 |
| H46 | AOMe | 3.79 | 1 |
| H47 | AOMe | 3.79 | 1 |
| H40 | BOMe | 3.82 | 1 |
| H41 | BOMe | 3.82 | 1 |
| H39 | BOMe | 3.82 | 1 |
| H43 | BOMe | 3.82 | 1 |
| H42 | BOMe | 3.82 | 1 |
| H44 | BOMe | 3.82 | 1 |
| H48 | CH2 | 3.95 | 1 |
| H49 | CH2 | 3.95 | 1 |
| H64 | B | 4.02 | 1 |
| H63 | A | 4.84 | 1 |
| H61 | CA | 5.09 | 1 |
| H62 | CA | 5.09 | 1 |
| H56 | B2 | 6.71 | 1 |
| H57 | B6 | 6.71 | 1 |
| H58 | A6 | 6.81 | 1 |
| H59 | A5 | 6.94 | 1 |
| H60 | A2 | 6.99 | 1 |
| H53 | B1 | 7.05 | 1 |
| H51 | C3 | 7.34 | 1 |
| H50 | C4 | 7.34 | 1 |
| H52 | C5 | 7.34 | 1 |
| H54 | C2 | 7.46 | 1 |
| H55 | C6 | 7.46 | 1 |