Lignin_cw_compound_2082 (C21 H24 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 420.40986
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain, a-C=O
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.21 | 1 |
| C2 | BOMe | 56.28 | 1 |
| C3 | BOMe | 56.28 | 1 |
| C4 | AOMe | 56.61 | 1 |
| C5 | AOMe | 56.61 | 1 |
| C11 | G | 63.35 | 1 |
| C18 | B | 86.41 | 1 |
| C7 | B2 | 106.22 | 1 |
| C8 | B6 | 106.22 | 1 |
| C9 | A2 | 106.51 | 1 |
| C10 | A6 | 106.51 | 1 |
| C6 | B1 | 124.92 | 1 |
| C21 | A4 | 133.59 | 1 |
| C13 | A1 | 135.01 | 1 |
| C20 | B4 | 137.01 | 1 |
| C16 | A3 | 153.06 | 1 |
| C17 | A5 | 153.06 | 1 |
| C14 | B3 | 153.77 | 1 |
| C15 | B5 | 153.77 | 1 |
| C12 | AcC=O | 168.18 | 1 |
| C19 | A | 196.25 | 1 |
| H33 | AcMe | 2.27 | 1 |
| H32 | AcMe | 2.27 | 1 |
| H31 | AcMe | 2.27 | 1 |
| H34 | BOMe | 3.73 | 1 |
| H36 | BOMe | 3.73 | 1 |
| H35 | BOMe | 3.73 | 1 |
| H38 | BOMe | 3.73 | 1 |
| H37 | BOMe | 3.73 | 1 |
| H39 | BOMe | 3.73 | 1 |
| H40 | AOMe | 3.86 | 1 |
| H41 | AOMe | 3.86 | 1 |
| H42 | AOMe | 3.86 | 1 |
| H44 | AOMe | 3.86 | 1 |
| H45 | AOMe | 3.86 | 1 |
| H43 | AOMe | 3.86 | 1 |
| H51 | G | 3.94 | 1 |
| H52 | G | 3.94 | 1 |
| H54 | GOH | 3.94 | 1 |
| H53 | B | 5.22 | 1 |
| H47 | B2 | 6.67 | 1 |
| H48 | B6 | 6.67 | 1 |
| H46 | B1 | 7.02 | 1 |
| H49 | A2 | 7.48 | 1 |
| H50 | A6 | 7.48 | 1 |