Lignin_cw_compound_138 (C23 H26 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 430.44774
This is of the category: b-O-4 Dimers, 2-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.65 | 4 |
| C3 | AcMe | 21.12 | 4 |
| C4 | AcMe | 21.37 | 4 |
| C1 | BB | 21.98 | 1 |
| C5 | OMe | 55.98 | 1 |
| C13 | B | 70.49 | 1 |
| C14 | BA | 71.92 | 1 |
| C23 | A | 73.52 | 1 |
| C12 | A2 | 111.26 | 1 |
| C9 | B3 | 114.72 | 1 |
| C10 | B5 | 114.72 | 1 |
| C8 | A6 | 119.09 | 1 |
| C11 | A5 | 122.95 | 1 |
| C12 | B2 | 127.62 | 1 |
| C8 | B6 | 127.62 | 1 |
| C18 | B1 | 134.50 | 1 |
| C19 | A1 | 135.85 | 1 |
| C21 | A4 | 139.90 | 1 |
| C22 | A3 | 151.20 | 1 |
| C20 | B4 | 158.09 | 1 |
| C16 | A4AcC=O | 168.88 | 1 |
| C15 | AcC=O | 169.98 | 4 |
| C17 | AcC=O | 170.30 | 4 |
| H36 | AcMe | 2.04 | 4 |
| H37 | AcMe | 2.04 | 4 |
| H35 | AcMe | 2.04 | 4 |
| H39 | AcMe | 2.11 | 4 |
| H40 | AcMe | 2.11 | 4 |
| H38 | AcMe | 2.11 | 4 |
| H43 | AcMe | 2.31 | 4 |
| H42 | AcMe | 2.31 | 4 |
| H41 | AcMe | 2.31 | 4 |
| H34 | BB | 1.51 | 1 |
| H33 | BB | 1.51 | 1 |
| H32 | BB | 1.51 | 1 |
| H39 | OMe | 3.85 | 1 |
| H40 | OMe | 3.85 | 1 |
| H38 | OMe | 3.85 | 1 |
| H54 | B1 | 4.13 | 1 |
| H55 | B2 | 4.25 | 1 |
| H56 | BA | 5.83 | 1 |
| H57 | A | 6.12 | 1 |
| H50 | B3 | 6.86 | 1 |
| H51 | B5 | 6.86 | 1 |
| H47 | B2 | 7.28 | 1 |
| H48 | B6 | 7.28 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.45 | 4 |
| C3 | AcMe | 20.94 | 4 |
| C4 | AcMe | 21.13 | 4 |
| C1 | BB | 22.35 | 1 |
| C5 | OMe | 56.30 | 1 |
| C13 | B | 71.18 | 1 |
| C14 | BA | 72.20 | 1 |
| C23 | A | 74.21 | 1 |
| C12 | A2 | 112.20 | 1 |
| C9 | B3 | 115.45 | 1 |
| C10 | B5 | 115.45 | 1 |
| C8 | A6 | 119.70 | 1 |
| C11 | A5 | 123.61 | 1 |
| C12 | B2 | 128.27 | 1 |
| C8 | B6 | 128.27 | 1 |
| C18 | B1 | 135.58 | 1 |
| C19 | A1 | 137.17 | 1 |
| C21 | A4 | 140.87 | 1 |
| C22 | A3 | 152.28 | 1 |
| C20 | B4 | 159.08 | 1 |
| C16 | A4AcC=O | 168.84 | 1 |
| C15 | AcC=O | 170.13 | 1 |
| C17 | AcC=O | 170.13 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.28 | 4 |
| C3 | AcMe | 20.73 | 4 |
| C4 | AcMe | 20.92 | 4 |
| C1 | BB | 21.78 | 1 |
| C5 | OMe | 55.79 | 1 |
| C13 | B | 69.76 | 1 |
| C14 | BA | 71.13 | 1 |
| C23 | A | 73.01 | 1 |
| C12 | A2 | 111.34 | 1 |
| C9 | B3 | 114.55 | 1 |
| C10 | B5 | 114.55 | 1 |
| C8 | A6 | 118.71 | 1 |
| C11 | A5 | 122.66 | 1 |
| C12 | B2 | 127.29 | 1 |
| C8 | B6 | 127.29 | 1 |
| C18 | B1 | 134.09 | 1 |
| C19 | A1 | 135.84 | 1 |
| C21 | A4 | 139.09 | 1 |
| C22 | A3 | 150.69 | 1 |
| C20 | B4 | 157.55 | 1 |
| C16 | A4AcC=O | 168.38 | 1 |
| C15 | AcC=O | 169.49 | 4 |
| C17 | AcC=O | 169.58 | 4 |