Lignin_cw_compound_3055 (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 | 14.16 | 1 |
| C2 | BOMe | 56.28 | 1 |
| C3 | AOMe | 56.40 | 1 |
| C4 | AOMe | 56.40 | 1 |
| C5 | CH2 | 61.28 | 1 |
| C24 | A | 74.84 | 1 |
| C17 | CA | 75.04 | 1 |
| C26 | B | 83.40 | 1 |
| C15 | A2 | 105.51 | 1 |
| C16 | A6 | 105.51 | 1 |
| C13 | B2 | 113.77 | 1 |
| C14 | B5 | 116.96 | 1 |
| C10 | B6 | 121.52 | 1 |
| C9 | B1 | 123.43 | 1 |
| C50 | C4 | 128.28 | 1 |
| C7 | C3 | 128.73 | 1 |
| C8 | C5 | 128.73 | 1 |
| C11 | C2 | 128.80 | 1 |
| C12 | C6 | 128.80 | 1 |
| C25 | A4 | 137.51 | 1 |
| C19 | A1 | 137.79 | 1 |
| C18 | C1 | 139.50 | 1 |
| C21 | B4 | 148.35 | 1 |
| C20 | B3 | 151.08 | 1 |
| C22 | A3 | 154.04 | 1 |
| C23 | A5 | 154.04 | 1 |
| C27 | G | 170.25 | 1 |
| H36 | CH3 | 1.19 | 1 |
| H37 | CH3 | 1.19 | 1 |
| H38 | CH3 | 1.19 | 1 |
| H39 | BOMe | 3.77 | 1 |
| H40 | BOMe | 3.77 | 1 |
| H41 | BOMe | 3.77 | 1 |
| H42 | AOMe | 3.83 | 1 |
| H43 | AOMe | 3.83 | 1 |
| H44 | AOMe | 3.83 | 1 |
| H45 | AOMe | 3.83 | 1 |
| H46 | AOMe | 3.83 | 1 |
| H47 | AOMe | 3.83 | 1 |
| H48 | CH2 | 4.16 | 1 |
| H49 | CH2 | 4.16 | 1 |
| H64 | B | 4.70 | 1 |
| H61 | CA | 4.94 | 1 |
| H62 | CA | 4.94 | 1 |
| H63 | A | 5.07 | 1 |
| H58 | B5 | 6.79 | 1 |
| H54 | B6 | 6.79 | 1 |
| H59 | A2 | 6.90 | 1 |
| H60 | A6 | 6.90 | 1 |
| H53 | B1 | 6.935 | 1 |
| H57 | B2 | 6.935 | 1 |
| H7 | C3 | 7.305 | 1 |
| H6 | C4 | 7.305 | 1 |
| H8 | C5 | 7.305 | 1 |
| H55 | C2 | 7.5 | 1 |
| H56 | C6 | 7.5 | 1 |