Lignin_cw_compound_2005 (C26 H28 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 484.49512
This is of the category: b-5 Dimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.51 | 1 |
| C2 | GAcMe | 20.68 | 1 |
| C1 | BGAcMe | 20.90 | 1 |
| C21 | B | 50.36 | 1 |
| C4 | AOMe | 55.79 | 1 |
| C5 | BOMe | 55.92 | 1 |
| C10 | BG | 65.06 | 1 |
| C14 | G | 65.22 | 1 |
| C25 | A | 87.91 | 1 |
| C13 | A2 | 109.84 | 1 |
| C12 | B2 | 110.56 | 1 |
| C11 | B6 | 115.23 | 1 |
| C8 | A6 | 118.08 | 1 |
| C6 | BB | 121.16 | 1 |
| C9 | A5 | 122.79 | 1 |
| C20 | B5 | 127.21 | 1 |
| C18 | B1 | 130.59 | 1 |
| C7 | BA | 134.13 | 1 |
| C22 | A4 | 139.56 | 1 |
| C19 | A1 | 139.30 | 1 |
| C24 | B3 | 144.30 | 1 |
| C26 | B4 | 148.03 | 1 |
| C23 | A3 | 151.16 | 1 |
| C17 | A4AcC=O | 168.82 | 1 |
| C16 | GC=O | 170.63 | 1 |
| C15 | BGC=O | 170.76 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.43 | 1 |
| C2 | GAcMe | 20.67 | 1 |
| C1 | BGAcMe | 20.78 | 1 |
| C21 | B | 51.33 | 1 |
| C4 | AOMe | 56.24 | 1 |
| C5 | BOMe | 56.41 | 1 |
| C10 | BG | 65.47 | 1 |
| C14 | G | 65.96 | 1 |
| C25 | A | 88.34 | 1 |
| C13 | A2 | 111.07 | 1 |
| C12 | B2 | 112.20 | 1 |
| C11 | B6 | 116.32 | 1 |
| C8 | A6 | 118.67 | 1 |
| C6 | BB | 122.30 | 1 |
| C9 | A5 | 123.76 | 1 |
| C20 | B5 | 128.82 | 1 |
| C18 | B1 | 131.65 | 1 |
| C7 | BA | 134.64 | 1 |
| C22 | A4 | 140.70 | 1 |
| C19 | A1 | 140.99 | 1 |
| C24 | B3 | 145.39 | 1 |
| C26 | B4 | 149.21 | 1 |
| C23 | A3 | 152.38 | 1 |
| C17 | A4AcC=O | 168.98 | 1 |
| C16 | GC=O | 170.97 | 1 |
| C15 | BGC=O | 170.80 | 1 |
| H40 | GAcMe | 2.0 | 1 |
| H41 | GAcMe | 2.0 | 1 |
| H39 | GAcMe | 2.0 | 1 |
| H36 | BGAcMe | 2.01 | 1 |
| H37 | BGAcMe | 2.01 | 1 |
| H38 | BGAcMe | 2.01 | 1 |
| H44 | A4AcMe | 2.22 | 1 |
| H43 | A4AcMe | 2.22 | 1 |
| H42 | A4AcMe | 2.22 | 1 |
| H62 | B | 3.78 | 1 |
| H45 | A3OMe | 3.79 | 1 |
| H46 | A3OMe | 3.79 | 1 |
| H47 | A3OMe | 3.79 | 1 |
| H48 | B3OMe | 3.88 | 1 |
| H49 | B3OMe | 3.88 | 1 |
| H50 | B3OMe | 3.88 | 1 |
| H60 | G1 | 4.34 | 1 |
| H61 | G2 | 4.46 | 1 |
| H55 | BG | 4.66 | 1 |
| H56 | BG | 4.66 | 1 |
| H63 | A | 5.61 | 1 |
| H51 | BB | 6.24 | 1 |
| H52 | BA | 6.63 | 1 |
| H53 | A6 | 7.0 | 1 |
| H57 | B6 | 7.03 | 1 |
| H58 | B2 | 7.049 | 1 |
| H54 | A5 | 7.054 | 1 |
| H59 | A2 | 7.18 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | A4AcMe | 20.41 | 1 |
| C2 | GAcMe | 20.61 | 1 |
| C1 | BGAcMe | 20.79 | 1 |
| C21 | B | 49.53 | 1 |
| C4 | AOMe | 55.84 | 1 |
| C5 | BOMe | 55.84 | 1 |
| C10 | BG | 64.57 | 1 |
| C14 | G | 64.90 | 1 |
| C25 | A | 87.01 | 1 |
| C13 | A2 | 110.59 | 1 |
| C12 | B2 | 111.08 | 1 |
| C11 | B6 | 115.36 | 1 |
| C8 | A6 | 118.00 | 1 |
| C6 | BB | 121.53 | 1 |
| C9 | A5 | 123.01 | 1 |
| C20 | B5 | 127.84 | 1 |
| C18 | B1 | 130.28 | 1 |
| C7 | BA | 133.52 | 1 |
| C22 | A4 | 139.14 | 1 |
| C19 | A1 | 139.59 | 1 |
| C24 | B3 | 143.96 | 1 |
| C26 | B4 | 147.55 | 1 |
| C23 | A3 | 150.92 | 1 |
| C17 | A4AcC=O | 168.60 | 1 |
| C16 | GC=O | 170.41 | 1 |
| C15 | BGC=O | 170.27 | 1 |