Lignin_cw_compound_172 (C25 H28 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 488.48382
This is of the category: b-1 Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.63 | 4 |
| C2 | AcMe | 20.63 | 4 |
| C3 | AcMe | 20.79 | 4 |
| C4 | AcMe | 20.96 | 4 |
| C20 | B | 50.09 | 1 |
| C5 | OMe | 55.88 | 1 |
| C6 | OMe | 55.88 | 1 |
| C13 | G | 64.02 | 1 |
| C25 | A | 74.87 | 1 |
| C12 | A2 | 111.24 | 1 |
| C11 | B2 | 113.32 | 1 |
| C8 | A6 | 119.13 | 1 |
| C7 | B6 | 120.98 | 1 |
| C9 | B5 | 122.46 | 1 |
| C10 | A5 | 122.58 | 1 |
| C18 | B1 | 135.77 | 1 |
| C19 | A1 | 136.91 | 1 |
| C21 | B4 | 139.04 | 1 |
| C22 | A4 | 139.58 | 1 |
| C23 | B3 | 150.71 | 1 |
| C24 | A3 | 150.86 | 1 |
| C15 | AcC=O | 168.76 | 4 |
| C16 | AcC=O | 168.84 | 4 |
| C17 | AAcC=O | 169.63 | 1 |
| C14 | GAcC=O | 170.74 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.45 | 4 |
| C2 | AcMe | 20.45 | 4 |
| C3 | AcMe | 20.67 | 4 |
| C4 | AcMe | 20.84 | 4 |
| C20 | B | 50.97 | 1 |
| C5 | OMe | 56.20 | 1 |
| C6 | OMe | 56.20 | 1 |
| C13 | G | 64.86 | 1 |
| C25 | A | 75.56 | 1 |
| C12 | A2 | 112.07 | 1 |
| C11 | B2 | 114.49 | 1 |
| C8 | A6 | 119.71 | 1 |
| C7 | B6 | 121.91 | 1 |
| C9 | B5 | 123.12 | 1 |
| C10 | A5 | 123.29 | 1 |
| C18 | B1 | 137.41 | 1 |
| C19 | A1 | 138.70 | 1 |
| C21 | B4 | 140.02 | 1 |
| C22 | A4 | 140.48 | 1 |
| C23 | B3 | 151.78 | 1 |
| C24 | A3 | 151.97 | 1 |
| C15 | AcC=O | 168.88 | 4 |
| C16 | AcC=O | 168.94 | 4 |
| C17 | AAcC=O | 169.64 | 1 |
| C14 | GAcC=O | 170.74 | 1 |
| H37 | AcMe | 1.93 | 4 |
| H36 | AcMe | 1.93 | 4 |
| H38 | AcMe | 1.93 | 4 |
| H40 | AcMe | 1.98 | 4 |
| H39 | AcMe | 1.98 | 4 |
| H41 | AcMe | 1.98 | 4 |
| H44 | AcMe | 2.21 | 4 |
| H42 | AcMe | 2.21 | 4 |
| H43 | AcMe | 2.21 | 4 |
| H46 | AcMe | 2.22 | 4 |
| H47 | AcMe | 2.22 | 4 |
| H45 | AcMe | 2.22 | 4 |
| H62 | B | 3.52 | 1 |
| H60 | G1 | 4.21 | 1 |
| H61 | G2 | 4.38 | 1 |
| H63 | A | 6.18 | 1 |
| C20 | B | 50.70 | 1 |
| C13 | G | 64.71 | 1 |
| C25 | A | 76.50 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.28 | 4 |
| C2 | AcMe | 20.28 | 4 |
| C3 | AcMe | 20.44 | 4 |
| C4 | AcMe | 20.53 | 4 |
| C20 | B | 49.08 | 1 |
| C5 | OMe | 55.60 | 1 |
| C6 | OMe | 55.60 | 1 |
| C13 | G | 63.94 | 1 |
| C25 | A | 74.49 | 1 |
| C12 | A2 | 111.00 | 1 |
| C11 | B2 | 113.38 | 1 |
| C8 | A6 | 118.69 | 1 |
| C7 | B6 | 120.71 | 1 |
| C9 | B5 | 122.15 | 1 |
| C10 | A5 | 122.38 | 1 |
| C18 | B1 | 136.55 | 1 |
| C19 | A1 | 137.52 | 1 |
| C21 | B4 | 138.15 | 1 |
| C22 | A4 | 138.71 | 1 |
| C23 | B3 | 150.14 | 1 |
| C24 | A3 | 150.40 | 1 |
| C15 | AcC=O | 168.32 | 1 |
| C16 | AcC=O | 168.32 | 1 |
| C17 | AAcC=O | 169.19 | 1 |
| C14 | GAcC=O | 169.98 | 1 |