Lignin_cw_compound_282 (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: Forest Products Laboratory)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.01 | 1 |
| C2 | G | 10.01 | 1 |
| C5 | 4AcMe | 20.37 | 1 |
| C6 | 4AcMe | 20.37 | 1 |
| C3 | AAcMe | 21.23 | 1 |
| C4 | AAcMe | 21.23 | 1 |
| C9 | B | 29.46 | 1 |
| C10 | B | 29.46 | 1 |
| C7 | OMe | 56.10 | 1 |
| C8 | OMe | 56.10 | 1 |
| C23 | A | 76.86 | 1 |
| C24 | A | 76.86 | 1 |
| C13 | 2 | 110.14 | 1 |
| C14 | 2 | 110.14 | 1 |
| C11 | 6 | 120.24 | 1 |
| C12 | 6 | 120.24 | 1 |
| C21 | 5 | 131.15 | 1 |
| C22 | 5 | 131.15 | 1 |
| C27 | 4 | 137.00 | 1 |
| C28 | 4 | 137.00 | 1 |
| C19 | 1 | 138.66 | 1 |
| C20 | 1 | 138.66 | 1 |
| C25 | 3 | 151.37 | 1 |
| C26 | 3 | 151.37 | 1 |
| C17 | AcC=O | 168.76 | 1 |
| C18 | AcC=O | 168.76 | 1 |
| C15 | AAcC=O | 170.36 | 1 |
| C16 | AAcC=O | 170.36 | 1 |
| H45 | G | 0.90 | 1 |
| H46 | G | 0.90 | 1 |
| H47 | G | 0.90 | 1 |
| H50 | G | 0.90 | 1 |
| H49 | G | 0.90 | 1 |
| H48 | G | 0.90 | 1 |
| H63 | B | 1.85 | 1 |
| H64 | B | 1.85 | 1 |
| H65 | B | 1.85 | 1 |
| H66 | B | 1.85 | 1 |
| H53 | 4AcMe | 2.08 | 1 |
| H52 | 4AcMe | 2.08 | 1 |
| H51 | 4AcMe | 2.08 | 1 |
| H54 | 4AcMe | 2.08 | 1 |
| H55 | 4AcMe | 2.08 | 1 |
| H56 | 4AcMe | 2.08 | 1 |
| H45 | AAcMe | 2.09 | 1 |
| H46 | AAcMe | 2.09 | 1 |
| H47 | AAcMe | 2.09 | 1 |
| H50 | AAcMe | 2.09 | 1 |
| H49 | AAcMe | 2.09 | 1 |
| H48 | AAcMe | 2.09 | 1 |
| H57 | OMe | 3.86 | 1 |
| H58 | OMe | 3.86 | 1 |
| H59 | OMe | 3.86 | 1 |
| H62 | OMe | 3.86 | 1 |
| H61 | OMe | 3.86 | 1 |
| H60 | OMe | 3.86 | 1 |
| H71 | A | 5.63 | 1 |
| H72 | A | 5.63 | 1 |
| H67 | 6 | 6.81 | 1 |
| H68 | 6 | 6.81 | 1 |
| H69 | 2 | 6.90 | 1 |
| H70 | 2 | 6.90 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 10.27 | 1 |
| C2 | G | 10.27 | 1 |
| C5 | 4AcMe | 20.33 | 1 |
| C6 | 4AcMe | 20.33 | 1 |
| C3 | AAcMe | 21.04 | 1 |
| C4 | AAcMe | 21.04 | 1 |
| C9 | B | 30.20 | 1 |
| C10 | B | 30.20 | 1 |
| C7 | OMe | 56.46 | 1 |
| C8 | OMe | 56.46 | 1 |
| C23 | A | 77.29 | 1 |
| C24 | A | 77.29 | 1 |
| C13 | 2 | 110.87 | 1 |
| C14 | 2 | 110.87 | 1 |
| C11 | 6 | 120.41 | 1 |
| C12 | 6 | 120.41 | 1 |
| C21 | 5 | 131.87 | 1 |
| C22 | 5 | 131.87 | 1 |
| C27 | 4 | 137.91 | 1 |
| C28 | 4 | 137.91 | 1 |
| C19 | 1 | 140.04 | 1 |
| C20 | 1 | 140.04 | 1 |
| C25 | 3 | 152.64 | 1 |
| C26 | 3 | 152.64 | 1 |
| C17 | AcC=O | 168.99 | 1 |
| C18 | AcC=O | 168.99 | 1 |
| C15 | AAcC=O | 170.46 | 1 |
| C16 | AAcC=O | 170.46 | 1 |
| H45 | G | 0.91 | 1 |
| H46 | G | 0.91 | 1 |
| H47 | G | 0.91 | 1 |
| H50 | G | 0.91 | 1 |
| H49 | G | 0.91 | 1 |
| H48 | G | 0.91 | 1 |
| H63 | B | 1.87 | 1 |
| H64 | B | 1.87 | 1 |
| H65 | B | 1.87 | 1 |
| H66 | B | 1.87 | 1 |
| H53 | 4AcMe | 2.03 | 1 |
| H52 | 4AcMe | 2.03 | 1 |
| H51 | 4AcMe | 2.03 | 1 |
| H54 | 4AcMe | 2.03 | 1 |
| H55 | 4AcMe | 2.03 | 1 |
| H56 | 4AcMe | 2.03 | 1 |
| H45 | AAcMe | 2.07 | 1 |
| H46 | AAcMe | 2.07 | 1 |
| H47 | AAcMe | 2.07 | 1 |
| H50 | AAcMe | 2.07 | 1 |
| H49 | AAcMe | 2.07 | 1 |
| H48 | AAcMe | 2.07 | 1 |
| H57 | OMe | 3.87 | 1 |
| H58 | OMe | 3.87 | 1 |
| H59 | OMe | 3.87 | 1 |
| H62 | OMe | 3.87 | 1 |
| H61 | OMe | 3.87 | 1 |
| H60 | OMe | 3.87 | 1 |
| H71 | A | 5.63 | 1 |
| H72 | A | 5.63 | 1 |
| H67 | 6 | 6.79 | 1 |
| H68 | 6 | 6.79 | 1 |
| H69 | 2 | 7.11 | 1 |
| H70 | 2 | 7.11 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | G | 9.81 | 1 |
| C2 | G | 9.81 | 1 |
| C5 | 4AcMe | 19.99 | 1 |
| C6 | 4AcMe | 19.99 | 1 |
| C3 | AAcMe | 20.82 | 1 |
| C4 | AAcMe | 20.82 | 1 |
| C9 | B | 28.90 | 1 |
| C10 | B | 28.90 | 1 |
| C7 | OMe | 56.04 | 1 |
| C8 | OMe | 56.04 | 1 |
| C23 | A | 76.03 | 1 |
| C24 | A | 76.03 | 1 |
| C13 | 2 | 110.20 | 1 |
| C14 | 2 | 110.20 | 1 |
| C11 | 6 | 118.88 | 1 |
| C12 | 6 | 118.88 | 1 |
| C21 | 5 | 130.12 | 1 |
| C22 | 5 | 130.12 | 1 |
| C27 | 4 | 136.15 | 1 |
| C28 | 4 | 136.15 | 1 |
| C19 | 1 | 138.82 | 1 |
| C20 | 1 | 138.82 | 1 |
| C25 | 3 | 151.14 | 1 |
| C26 | 3 | 151.14 | 1 |
| C17 | AcC=O | 168.33 | 1 |
| C18 | AcC=O | 168.33 | 1 |
| C15 | AAcC=O | 169.84 | 1 |
| C16 | AAcC=O | 169.84 | 1 |
| H45 | G | 0.86 | 1 |
| H46 | G | 0.86 | 1 |
| H47 | G | 0.86 | 1 |
| H50 | G | 0.86 | 1 |
| H49 | G | 0.86 | 1 |
| H48 | G | 0.86 | 1 |
| H63 | B | 1.81 | 1 |
| H64 | B | 1.81 | 1 |
| H65 | B | 1.81 | 1 |
| H66 | B | 1.81 | 1 |
| H53 | 4AcMe | 2.02 | 1 |
| H52 | 4AcMe | 2.02 | 1 |
| H51 | 4AcMe | 2.02 | 1 |
| H54 | 4AcMe | 2.02 | 1 |
| H55 | 4AcMe | 2.02 | 1 |
| H56 | 4AcMe | 2.02 | 1 |
| H45 | AAcMe | 2.07 | 1 |
| H46 | AAcMe | 2.07 | 1 |
| H47 | AAcMe | 2.07 | 1 |
| H50 | AAcMe | 2.07 | 1 |
| H49 | AAcMe | 2.07 | 1 |
| H48 | AAcMe | 2.07 | 1 |
| H57 | OMe | 3.81 | 1 |
| H58 | OMe | 3.81 | 1 |
| H59 | OMe | 3.81 | 1 |
| H62 | OMe | 3.81 | 1 |
| H61 | OMe | 3.81 | 1 |
| H60 | OMe | 3.81 | 1 |
| H71 | A | 5.58 | 1 |
| H72 | A | 5.58 | 1 |
| H67 | 6 | 6.67 | 1 |
| H68 | 6 | 6.67 | 1 |
| H69 | 2 | 7.11 | 1 |
| H70 | 2 | 7.11 | 1 |