Lignin_cw_compound_137 (C26 H30 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 502.5104
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.62 | 4 |
| C3 | AcMe | 20.62 | 4 |
| C4 | AcMe | 20.98 | 4 |
| C5 | AcMe | 21.34 | 4 |
| C1 | BB | 22.00 | 1 |
| C6 | OMe | 55.98 | 1 |
| C14 | G | 62.64 | 1 |
| C15 | BA | 71.85 | 1 |
| C26 | A | 74.00 | 1 |
| C25 | B | 78.08 | 1 |
| C13 | A2 | 111.64 | 1 |
| C11 | B5 | 116.31 | 1 |
| C10 | B3 | 116.31 | 1 |
| C9 | A6 | 119.60 | 1 |
| C12 | A5 | 122.96 | 1 |
| C7 | B2 | 127.66 | 1 |
| C8 | B6 | 127.66 | 1 |
| C20 | B1 | 134.86 | 1 |
| C21 | A1 | 135.22 | 1 |
| C23 | A4 | 140.05 | 1 |
| C24 | A3 | 151.20 | 1 |
| C22 | B4 | 157.97 | 1 |
| C19 | A4AcC=O | 168.71 | 1 |
| C16 | AcC=O | 169.69 | 4 |
| C17 | AcC=O | 170.29 | 4 |
| C18 | AcC=O | 170.55 | 4 |
| H42 | AcMe | 1.98 | 4 |
| H40 | AcMe | 1.98 | 4 |
| H41 | AcMe | 1.98 | 4 |
| H44 | AcMe | 2.05 | 4 |
| H43 | AcMe | 2.05 | 4 |
| H45 | AcMe | 2.05 | 4 |
| H47 | AcMe | 2.05 | 4 |
| H46 | AcMe | 2.05 | 4 |
| H48 | AcMe | 2.05 | 4 |
| H51 | AcMe | 2.29 | 4 |
| H50 | AcMe | 2.29 | 4 |
| H49 | AcMe | 2.29 | 4 |
| H38 | BB | 1.51 | 1 |
| H37 | BB | 1.51 | 1 |
| H39 | BB | 1.51 | 1 |
| H52 | OMe | 3.81 | 1 |
| H53 | OMe | 3.81 | 1 |
| H54 | OMe | 3.81 | 1 |
| H62 | G1 | 4.04 | 1 |
| H63 | G2 | 4.27 | 1 |
| H64 | BA | 5.83 | 1 |
| H66 | A | 6.07 | 1 |
| H65 | B | 4.69 | 1 |
| C14 | G | 62.32 | 1 |
| C15 | BA | 71.85 | 1 |
| C26 | A | 73.62 | 1 |
| C25 | B | 78.40 | 1 |
| C22 | B4 | 157.58 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.45 | 4 |
| C3 | AcMe | 20.56 | 4 |
| C4 | AcMe | 20.86 | 4 |
| C5 | AcMe | 21.14 | 4 |
| C1 | BB | 22.34 | 1 |
| C6 | OMe | 56.31 | 1 |
| C14 | G | 63.24 | 1 |
| C15 | BA | 72.17 | 1 |
| C26 | A | 75.07 | 1 |
| C25 | B | 79.10 | 1 |
| C13 | A2 | 112.61 | 1 |
| C11 | B5 | 117.08 | 1 |
| C10 | B3 | 117.08 | 1 |
| C9 | A6 | 120.37 | 1 |
| C12 | A5 | 123.63 | 1 |
| C7 | B2 | 128.27 | 1 |
| C8 | B6 | 128.27 | 1 |
| C20 | B1 | 136.20 | 1 |
| C21 | A1 | 136.39 | 1 |
| C23 | A4 | 140.97 | 1 |
| C24 | A3 | 152.25 | 1 |
| C22 | B4 | 159.12 | 1 |
| C19 | A4AcC=O | 168.81 | 1 |
| C16 | AcC=O | 169.99 | 4 |
| C17 | AcC=O | 170.18 | 4 |
| C18 | AcC=O | 170.65 | 4 |
| C14 | G | 62.88 | 1 |
| C15 | BA | 72.17 | 1 |
| C26 | A | 74.21 | 1 |
| C25 | B | 78.86 | 1 |
| C22 | B4 | 158.59 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.28 | 4 |
| C3 | AcMe | 20.36 | 4 |
| C4 | AcMe | 20.61 | 4 |
| C5 | AcMe | 20.92 | 4 |
| C1 | BB | 21.78 | 1 |
| C6 | OMe | 55.82 | 1 |
| C14 | G | 62.16 | 1 |
| C15 | BA | 71.14 | 1 |
| C26 | A | 74.00 | 1 |
| C25 | B | 77.57 | 1 |
| C13 | A2 | 111.65 | 1 |
| C11 | B5 | 116.01 | 1 |
| C10 | B3 | 116.01 | 1 |
| C9 | A6 | 119.45 | 1 |
| C12 | A5 | 122.71 | 1 |
| C7 | B2 | 127.30 | 1 |
| C8 | B6 | 127.30 | 1 |
| C20 | B1 | 134.71 | 1 |
| C21 | A1 | 135.25 | 1 |
| C23 | A4 | 139.25 | 1 |
| C24 | A3 | 150.73 | 1 |
| C22 | B4 | 157.69 | 1 |
| C19 | A4AcC=O | 168.30 | 1 |
| C16 | AcC=O | 169.35 | 4 |
| C17 | AcC=O | 169.51 | 4 |
| C18 | AcC=O | 169.82 | 4 |
| C14 | G | 61.73 | 1 |
| C15 | BA | 71.14 | 1 |
| C26 | A | 72.81 | 1 |
| C25 | B | 76.99 | 1 |
| C22 | B4 | 157.03 | 1 |