Lignin_cw_compound_240 (C18 H22 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 382.36188
This is of the category: Monomers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.67 | 4 |
| C2 | AcMe | 20.67 | 4 |
| C3 | AcMe | 20.80 | 4 |
| C4 | AcMe | 20.96 | 4 |
| C5 | OMe | 56.02 | 1 |
| C9 | G | 62.11 | 1 |
| C17 | B | 72.22 | 1 |
| C18 | A | 73.43 | 1 |
| C8 | 2 | 111.30 | 1 |
| C6 | 6 | 119.75 | 1 |
| C7 | 5 | 123.10 | 1 |
| C14 | 1 | 134.70 | 1 |
| C16 | 4 | 140.20 | 1 |
| C15 | 3 | 151.37 | 1 |
| C11 | 4AcC=O | 168.77 | 1 |
| C13 | AAcC=O | 169.65 | 1 |
| C12 | BAcC=O | 170.04 | 1 |
| C10 | GAcC=O | 170.43 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.44 | 4 |
| C2 | AcMe | 20.52 | 4 |
| C3 | AcMe | 20.66 | 4 |
| C4 | AcMe | 20.79 | 4 |
| C5 | OMe | 56.34 | 1 |
| C9 | G | 62.81 | 1 |
| C17 | B | 72.92 | 1 |
| C18 | A | 74.15 | 1 |
| C8 | 2 | 112.29 | 1 |
| C6 | 6 | 120.15 | 1 |
| C7 | 5 | 123.72 | 1 |
| C14 | 1 | 136.28 | 1 |
| C16 | 4 | 140.98 | 1 |
| C15 | 3 | 152.30 | 1 |
| C11 | 4AcC=O | 168.95 | 1 |
| C13 | AAcC=O | 170.08 | 1 |
| C12 | BAcC=O | 170.30 | 1 |
| C10 | GAcC=O | 170.73 | 1 |
| H29 | AcMe | 1.98 | 4 |
| H28 | AcMe | 1.98 | 4 |
| H30 | AcMe | 1.98 | 4 |
| H32 | AcMe | 1.99 | 4 |
| H31 | AcMe | 1.99 | 4 |
| H33 | AcMe | 1.99 | 4 |
| H35 | AcMe | 2.08 | 4 |
| H36 | AcMe | 2.08 | 4 |
| H34 | AcMe | 2.08 | 4 |
| H39 | AcMe | 2.22 | 4 |
| H37 | AcMe | 2.22 | 4 |
| H38 | AcMe | 2.22 | 4 |
| H41 | OMe | 3.83 | 1 |
| H42 | OMe | 3.83 | 1 |
| H40 | OMe | 3.83 | 1 |
| H46 | G1 | 3.90 | 1 |
| H47 | G2 | 4.24 | 1 |
| H48 | B | 5.42 | 1 |
| H49 | A | 5.97 | 1 |
| H43 | 6 | 7.00 | 1 |
| H44 | 5 | 7.06 | 1 |
| H45 | 2 | 7.17 | 1 |
| C9 | G | 62.31 | 1 |
| C17 | B | 72.92 | 1 |
| C18 | A | 73.53 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.36 | 4 |
| C2 | AcMe | 20.41 | 4 |
| C3 | AcMe | 20.46 | 4 |
| C4 | AcMe | 20.66 | 4 |
| C5 | OMe | 55.84 | 1 |
| C9 | G | 61.93 | 1 |
| C17 | B | 71.68 | 1 |
| C18 | A | 72.90 | 1 |
| C8 | 2 | 111.25 | 1 |
| C6 | 6 | 119.00 | 1 |
| C7 | 5 | 122.81 | 1 |
| C14 | 1 | 135.20 | 1 |
| C16 | 4 | 139.19 | 1 |
| C15 | 3 | 150.72 | 1 |
| C11 | 4AcC=O | 168.40 | 1 |
| C13 | AAcC=O | 169.44 | 1 |
| C12 | BAcC=O | 169.44 | 1 |
| C10 | GAcC=O | 169.97 | 1 |