Lignin_cw_compound_260 (C28 H34 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 530.56356
This is of the category: 5-5 Dimers
Concentration: Saturated (Source: Larry L. Landucci)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.39 | 4 |
| C2 | AcMe | 20.39 | 4 |
| C3 | AcMe | 20.91 | 4 |
| C4 | AcMe | 20.91 | 4 |
| C9 | A | 30.30 | 1 |
| C10 | A | 30.30 | 1 |
| C7 | B | 32.15 | 1 |
| C8 | B | 32.15 | 1 |
| C5 | OMe | 56.02 | 1 |
| C6 | OMe | 56.02 | 1 |
| C11 | G | 63.72 | 1 |
| C12 | G | 63.72 | 1 |
| C15 | 2 | 111.95 | 1 |
| C16 | 2 | 111.95 | 1 |
| C13 | 6 | 122.27 | 1 |
| C14 | 6 | 122.27 | 1 |
| C23 | 5 | 131.36 | 1 |
| C34 | 5 | 131.36 | 1 |
| C27 | 4 | 135.76 | 1 |
| C28 | 4 | 135.76 | 1 |
| C21 | 1 | 139.28 | 1 |
| C22 | 1 | 139.28 | 1 |
| C25 | 3 | 151.13 | 1 |
| C26 | 3 | 151.13 | 1 |
| C19 | 4AcC=O | 168.76 | 1 |
| C20 | 4AcC=O | 168.76 | 1 |
| C17 | GAcC=O | 171.08 | 1 |
| C18 | GAcC=O | 171.08 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.46 | 4 |
| C2 | AcMe | 20.46 | 4 |
| C3 | AcMe | 20.78 | 4 |
| C4 | AcMe | 20.78 | 4 |
| C9 | A | 30.99 | 1 |
| C10 | A | 30.99 | 1 |
| C7 | B | 32.61 | 1 |
| C8 | B | 32.61 | 1 |
| C5 | OMe | 56.34 | 1 |
| C6 | OMe | 56.34 | 1 |
| C11 | G | 64.04 | 1 |
| C12 | G | 64.04 | 1 |
| C15 | 2 | 112.93 | 1 |
| C16 | 2 | 112.93 | 1 |
| C13 | 6 | 122.80 | 1 |
| C14 | 6 | 122.80 | 1 |
| C23 | 5 | 132.20 | 1 |
| C34 | 5 | 132.20 | 1 |
| C27 | 4 | 136.81 | 1 |
| C28 | 4 | 136.81 | 1 |
| C21 | 1 | 140.33 | 1 |
| C22 | 1 | 140.33 | 1 |
| C25 | 3 | 152.37 | 1 |
| C26 | 3 | 152.37 | 1 |
| C19 | 4AcC=O | 168.76 | 1 |
| C20 | 4AcC=O | 168.76 | 1 |
| C17 | GAcC=O | 171.00 | 1 |
| C18 | GAcC=O | 171.00 | 1 |
| H57 | B | 1.97 | 1 |
| H58 | B | 1.97 | 1 |
| H59 | B | 1.97 | 1 |
| H60 | B | 1.97 | 1 |
| H39 | AcMe | 1.98 | 4 |
| H40 | AcMe | 1.98 | 4 |
| H41 | AcMe | 1.98 | 4 |
| H42 | AcMe | 1.98 | 4 |
| H43 | AcMe | 1.98 | 4 |
| H44 | AcMe | 1.98 | 4 |
| H45 | AcMe | 2.01 | 4 |
| H46 | AcMe | 2.01 | 4 |
| H47 | AcMe | 2.01 | 4 |
| H48 | AcMe | 2.01 | 4 |
| H49 | AcMe | 2.01 | 4 |
| H50 | AcMe | 2.01 | 4 |
| H61 | A | 2.70 | 1 |
| H62 | A | 2.70 | 1 |
| H63 | A | 2.70 | 1 |
| H64 | A | 2.70 | 1 |
| H48 | OMe | 3.83 | 1 |
| H49 | OMe | 3.83 | 1 |
| H50 | OMe | 3.83 | 1 |
| H51 | OMe | 3.83 | 1 |
| H52 | OMe | 3.83 | 1 |
| H53 | OMe | 3.83 | 1 |
| H65 | G | 4.07 | 1 |
| H66 | G | 4.07 | 1 |
| H67 | G | 4.07 | 1 |
| H68 | G | 4.07 | 1 |
| H69 | 6 | 6.66 | 1 |
| H70 | 6 | 6.66 | 1 |
| H71 | 2 | 6.99 | 1 |
| H72 | 2 | 6.99 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 19.99 | 4 |
| C2 | AcMe | 19.99 | 4 |
| C3 | AcMe | 20.56 | 4 |
| C4 | AcMe | 20.56 | 4 |
| C9 | A | 29.58 | 1 |
| C10 | A | 29.58 | 1 |
| C7 | B | 31.32 | 1 |
| C8 | B | 31.32 | 1 |
| C5 | OMe | 55.79 | 1 |
| C6 | OMe | 55.79 | 1 |
| C11 | G | 63.10 | 1 |
| C12 | G | 63.10 | 1 |
| C15 | 2 | 112.16 | 1 |
| C16 | 2 | 112.16 | 1 |
| C13 | 6 | 121.46 | 1 |
| C14 | 6 | 121.46 | 1 |
| C23 | 5 | 130.51 | 1 |
| C34 | 5 | 130.51 | 1 |
| C27 | 4 | 135.09 | 1 |
| C28 | 4 | 135.09 | 1 |
| C21 | 1 | 139.20 | 1 |
| C22 | 1 | 139.20 | 1 |
| C25 | 3 | 150.82 | 1 |
| C26 | 3 | 150.82 | 1 |
| C19 | 4AcC=O | 167.98 | 1 |
| C20 | 4AcC=O | 167.98 | 1 |
| C17 | GAcC=O | 170.25 | 1 |
| C18 | GAcC=O | 170.25 | 1 |