Lignin_cw_compound_29 (C27 H34 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 534.55226
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.75 | 4 |
| C3 | AcMe | 21.01 | 4 |
| C4 | AcMe | 21.34 | 4 |
| C1 | BB | 22.22 | 1 |
| C5 | AOMe | 55.88 | 1 |
| C6 | AOMe | 55.97 | 1 |
| C7 | BOMe | 56.08 | 1 |
| C8 | BOMe | 56.08 | 1 |
| C14 | G | 63.84 | 1 |
| C15 | BA | 72.38 | 1 |
| C26 | A | 76.01 | 1 |
| C25 | B | 80.76 | 1 |
| C12 | B2 | 103.29 | 1 |
| C13 | B6 | 103.29 | 1 |
| C11 | A2 | 110.70 | 1 |
| C10 | A5 | 111.02 | 1 |
| C9 | A6 | 119.92 | 1 |
| C19 | A1 | 129.64 | 1 |
| C20 | B1 | 136.22 | 1 |
| C27 | B4 | 137.37 | 1 |
| C22 | A3 | 148.89 | 1 |
| C21 | A4 | 149.10 | 1 |
| C23 | B3 | 152.88 | 1 |
| C24 | B5 | 152.88 | 1 |
| C16 | AcC=O | 169.76 | 4 |
| C17 | AcC=O | 170.15 | 4 |
| C18 | AcC=O | 170.57 | 4 |
| H42 | AcMe | 1.92 | 4 |
| H43 | AcMe | 1.92 | 4 |
| H44 | AcMe | 1.92 | 4 |
| H45 | AcMe | 2.00 | 4 |
| H46 | AcMe | 2.00 | 4 |
| H47 | AcMe | 2.00 | 4 |
| H48 | AcMe | 2.07 | 4 |
| H49 | AcMe | 2.07 | 4 |
| H50 | AcMe | 2.07 | 4 |
| H39 | BB | 1.51 | 1 |
| H40 | BB | 1.51 | 1 |
| H41 | BB | 1.51 | 1 |
| H51 | OMe | 3.86 | 1 |
| H52 | OMe | 3.86 | 1 |
| H53 | OMe | 3.86 | 1 |
| H54 | OMe | 3.86 | 1 |
| H55 | OMe | 3.86 | 1 |
| H56 | OMe | 3.86 | 1 |
| H57 | BOMe | 3.80 | 1 |
| H58 | BOMe | 3.80 | 1 |
| H59 | BOMe | 3.80 | 1 |
| H60 | BOMe | 3.80 | 1 |
| H61 | BOMe | 3.80 | 1 |
| H62 | BOMe | 3.80 | 1 |
| H68 | G2 | 4.29 | 1 |
| H70 | BA | 5.79 | 1 |
| H72 | A | 6.11 | 1 |
| H71 | B | 4.59 | 1 |
| H66 | B2 | 6.55 | 1 |
| H67 | B6 | 6.55 | 1 |
| H65 | A2 | 6.94 | 1 |
| H64 | A5 | 6.81 | 1 |
| H63 | A6 | 6.95 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.62 | 4 |
| C3 | AcMe | 20.96 | 4 |
| C4 | AcMe | 21.14 | 4 |
| C1 | BB | 22.58 | 1 |
| C5 | AOMe | 56.02 | 1 |
| C6 | AOMe | 56.02 | 1 |
| C7 | BOMe | 56.33 | 1 |
| C8 | BOMe | 56.33 | 1 |
| C14 | G | 64.43 | 1 |
| C15 | BA | 72.70 | 1 |
| C26 | A | 76.69 | 1 |
| C25 | B | 81.52 | 1 |
| C12 | B2 | 103.91 | 1 |
| C13 | B6 | 103.91 | 1 |
| C11 | A2 | 112.03 | 1 |
| C10 | A5 | 112.31 | 1 |
| C9 | A6 | 120.59 | 1 |
| C19 | A1 | 130.68 | 1 |
| C20 | B1 | 137.06 | 1 |
| C27 | B4 | 138.53 | 1 |
| C22 | A3 | 150.05 | 1 |
| C21 | A4 | 150.25 | 1 |
| C23 | B3 | 153.68 | 1 |
| C24 | B5 | 153.68 | 1 |
| C16 | AcC=O | 169.78 | 4 |
| C17 | AcC=O | 170.14 | 4 |
| C18 | AcC=O | 170.59 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.36 | 4 |
| C3 | AcMe | 20.62 | 4 |
| C4 | AcMe | 20.96 | 4 |
| C1 | BB | 22.03 | 1 |
| C5 | AOMe | 55.43 | 1 |
| C6 | AOMe | 55.50 | 1 |
| C7 | BOMe | 55.80 | 1 |
| C8 | BOMe | 55.80 | 1 |
| C14 | G | 63.36 | 1 |
| C15 | BA | 71.70 | 1 |
| C26 | A | 75.65 | 1 |
| C25 | B | 80.30 | 1 |
| C12 | B2 | 102.90 | 1 |
| C13 | B6 | 102.90 | 1 |
| C11 | A2 | 110.80 | 1 |
| C10 | A5 | 111.51 | 1 |
| C9 | A6 | 119.58 | 1 |
| C19 | A1 | 129.28 | 1 |
| C20 | B1 | 135.43 | 1 |
| C27 | B4 | 137.28 | 1 |
| C22 | A3 | 148.53 | 1 |
| C21 | A4 | 148.74 | 1 |
| C23 | B3 | 152.27 | 1 |
| C24 | B5 | 152.27 | 1 |
| C16 | AcC=O | 169.11 | 4 |
| C17 | AcC=O | 169.52 | 4 |
| C18 | AcC=O | 169.89 | 4 |