Lignin_cw_compound_214 (C23 H26 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 446.44714
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.57 | 4 |
| C2 | AcMe | 20.66 | 4 |
| C3 | AcMe | 20.93 | 4 |
| C4 | OMe | 55.78 | 4 |
| C5 | OMe | 55.90 | 4 |
| C13 | G | 62.55 | 1 |
| C23 | A | 73.79 | 1 |
| C22 | B | 80.15 | 1 |
| C12 | A2 | 112.02 | 1 |
| C8 | B2 | 112.70 | 1 |
| C9 | B5 | 119.51 | 1 |
| C10 | A6 | 119.71 | 1 |
| C7 | B6 | 120.98 | 1 |
| C11 | A5 | 122.52 | 1 |
| C6 | B1 | 123.58 | 1 |
| C17 | A1 | 135.41 | 1 |
| C20 | A4 | 139.80 | 1 |
| C19 | B4 | 147.18 | 1 |
| C18 | B3 | 150.97 | 1 |
| C21 | A3 | 151.11 | 1 |
| C14 | AcC=O | 168.69 | 4 |
| C15 | AcC=O | 169.44 | 4 |
| C16 | AcC=O | 170.68 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.46 | 4 |
| C2 | AcMe | 20.59 | 4 |
| C3 | AcMe | 20.86 | 4 |
| C4 | OMe | 56.26 | 4 |
| C5 | OMe | 56.32 | 4 |
| C13 | G | 63.03 | 1 |
| C23 | A | 74.63 | 1 |
| C22 | B | 80.37 | 1 |
| C12 | A2 | 112.83 | 1 |
| C8 | B2 | 113.90 | 1 |
| C9 | B5 | 119.88 | 1 |
| C10 | A6 | 120.46 | 1 |
| C7 | B6 | 121.68 | 1 |
| C11 | A5 | 123.36 | 1 |
| C6 | B1 | 124.08 | 1 |
| C17 | A1 | 136.71 | 1 |
| C20 | A4 | 140.85 | 1 |
| C19 | B4 | 148.33 | 1 |
| C18 | B3 | 152.11 | 1 |
| C21 | A3 | 152.11 | 1 |
| C14 | AcC=O | 168.89 | 4 |
| C15 | AcC=O | 169.89 | 4 |
| C16 | AcC=O | 170.74 | 4 |
| H33 | AcMe | 1.94 | 4 |
| H34 | AcMe | 1.94 | 4 |
| H35 | AcMe | 1.94 | 4 |
| H38 | AcMe | 2.08 | 4 |
| H37 | AcMe | 2.08 | 4 |
| H36 | AcMe | 2.08 | 4 |
| H39 | AcMe | 2.23 | 4 |
| H40 | AcMe | 2.23 | 4 |
| H41 | AcMe | 2.23 | 4 |
| H43 | OMe | 3.81 | 4 |
| H42 | OMe | 3.81 | 4 |
| H44 | OMe | 3.81 | 4 |
| H47 | OMe | 3.83 | 4 |
| H46 | OMe | 3.83 | 4 |
| H45 | OMe | 3.83 | 4 |
| H55 | G1 | 4.22 | 1 |
| H56 | G2 | 4.39 | 1 |
| H57 | B | 4.83 | 1 |
| H58 | A | 6.09 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.22 | 4 |
| C2 | AcMe | 20.29 | 4 |
| C3 | AcMe | 20.53 | 4 |
| C4 | OMe | 55.54 | 4 |
| C5 | OMe | 55.66 | 4 |
| C13 | G | 61.84 | 1 |
| C23 | A | 73.10 | 1 |
| C22 | B | 78.36 | 1 |
| C12 | A2 | 111.61 | 1 |
| C8 | B2 | 112.89 | 1 |
| C9 | B5 | 117.93 | 1 |
| C10 | A6 | 119.28 | 1 |
| C7 | B6 | 120.61 | 1 |
| C11 | A5 | 122.43 | 1 |
| C6 | B1 | 122.83 | 1 |
| C17 | A1 | 135.30 | 1 |
| C20 | A4 | 139.05 | 1 |
| C19 | B4 | 146.61 | 1 |
| C18 | B3 | 150.30 | 1 |
| C21 | A3 | 150.52 | 1 |
| C14 | AcC=O | 168.31 | 4 |
| C15 | AcC=O | 169.16 | 4 |
| C16 | AcC=O | 169.94 | 4 |