Lignin_cw_compound_32 (C25 H30 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 474.5003
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 | 20.69 | 4 |
| C3 | AcMe | 21.04 | 4 |
| C4 | AcMe | 21.35 | 4 |
| C1 | BB | 22.01 | 1 |
| C5 | OMe | 55.91 | 4 |
| C6 | OMe | 55.99 | 4 |
| C14 | G | 62.91 | 1 |
| C15 | BA | 71.86 | 1 |
| C25 | A | 74.34 | 1 |
| C24 | B | 78.43 | 1 |
| C13 | A2 | 110.51 | 1 |
| C12 | A5 | 111.20 | 1 |
| C10 | B3 | 116.40 | 1 |
| C11 | B5 | 116.40 | 1 |
| C9 | A6 | 119.92 | 1 |
| C7 | B2 | 127.62 | 1 |
| C8 | B6 | 127.62 | 1 |
| C20 | A1 | 128.58 | 1 |
| C19 | B1 | 135.13 | 1 |
| C23 | A3 | 149.10 | 1 |
| C22 | A4 | 149.41 | 1 |
| C21 | B4 | 158.17 | 1 |
| C16 | AcC=0 | 169.81 | 4 |
| C17 | AcC=O | 170.27 | 4 |
| C18 | AcC=O | 170.55 | 4 |
| H40 | AcMe | 2.03 | 4 |
| H38 | AcMe | 2.03 | 4 |
| H39 | AcMe | 2.03 | 4 |
| H42 | AcMe | 2.03 | 4 |
| H41 | AcMe | 2.03 | 4 |
| H43 | AcMe | 2.03 | 4 |
| H46 | AcMe | 2.05 | 4 |
| H45 | AcMe | 2.05 | 4 |
| H44 | AcMe | 2.05 | 4 |
| H36 | BB | 1.51 | 1 |
| H35 | BB | 1.51 | 1 |
| H37 | BB | 1.51 | 1 |
| H49 | OMe | 3.87 | 1 |
| H48 | OMe | 3.87 | 1 |
| H47 | OMe | 3.87 | 1 |
| H52 | OMe | 3.87 | 1 |
| H51 | OMe | 3.87 | 1 |
| H50 | OMe | 3.87 | 1 |
| H60 | G1 | 4.00 | 1 |
| H61 | G2 | 4.24 | 1 |
| H62 | BA | 5.84 | 1 |
| H64 | A | 6.02 | 1 |
| H63 | B | 4.70 | 1 |
| C14 | G | 62.59 | 1 |
| C25 | A | 73.95 | 1 |
| C24 | B | 78.43 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.56 | 4 |
| C3 | AcMe | 20.89 | 4 |
| C4 | AcMe | 21.13 | 4 |
| C1 | BB | 22.35 | 1 |
| C5 | OMe | 56.06 | 4 |
| C6 | OMe | 56.17 | 4 |
| C14 | G | 63.46 | 1 |
| C15 | BA | 72.17 | 1 |
| C25 | A | 75.35 | 1 |
| C24 | B | 79.30 | 1 |
| C13 | A2 | 112.16 | 1 |
| C12 | A5 | 112.54 | 1 |
| C10 | B3 | 117.10 | 1 |
| C11 | B5 | 117.10 | 1 |
| C9 | A6 | 120.84 | 1 |
| C7 | B2 | 128.22 | 1 |
| C8 | B6 | 128.22 | 1 |
| C20 | A1 | 130.00 | 1 |
| C19 | B1 | 136.10 | 1 |
| C23 | A3 | 150.34 | 1 |
| C22 | A4 | 150.61 | 1 |
| C21 | B4 | 159.27 | 1 |
| C16 | AcC=0 | 169.90 | 4 |
| C17 | AcC=O | 170.11 | 4 |
| C18 | AcC=O | 170.58 | 4 |
| C14 | G | 63.11 | 1 |
| C25 | A | 74.41 | 1 |
| C24 | B | 78.93 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.38 | 4 |
| C3 | AcMe | 20.64 | 4 |
| C4 | AcMe | 20.93 | 4 |
| C1 | BB | 21.78 | 1 |
| C5 | OMe | 55.41 | 4 |
| C6 | OMe | 55.51 | 4 |
| C14 | G | 62.32 | 1 |
| C15 | BA | 71.14 | 1 |
| C25 | A | 74.25 | 1 |
| C24 | B | 77.67 | 1 |
| C13 | A2 | 110.85 | 1 |
| C12 | A5 | 111.52 | 1 |
| C10 | B3 | 115.98 | 1 |
| C11 | B5 | 115.98 | 1 |
| C9 | A6 | 119.82 | 1 |
| C7 | B2 | 127.29 | 1 |
| C8 | B6 | 127.29 | 1 |
| C20 | A1 | 128.62 | 1 |
| C19 | B1 | 134.59 | 1 |
| C23 | A3 | 148.60 | 1 |
| C22 | A4 | 148.87 | 1 |
| C21 | B4 | 157.76 | 1 |
| C16 | AcC=0 | 169.28 | 4 |
| C17 | AcC=O | 169.51 | 4 |
| C18 | AcC=O | 169.92 | 4 |
| C14 | G | 61.88 | 1 |
| C25 | A | 72.92 | 1 |
| C24 | B | 76.96 | 1 |