Phenyl Coumaran Biphenyl (C40 H46 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 654.78844
This is of the category: Tetramers
Concentration: 60 mg/ml (Source: John Pew)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BG | 13.91 | 1 |
| C2 | BG | 13.91 | 1 |
| C3 | G | 17.48 | 1 |
| C4 | G | 17.48 | 1 |
| C9 | BB | 25.08 | 1 |
| C10 | BB | 25.08 | 1 |
| C11 | BA | 38.07 | 1 |
| C12 | BA | 38.07 | 1 |
| C21 | B | 45.68 | 1 |
| C22 | B | 45.68 | 1 |
| C5 | OMe | 56.00 | 4 |
| C6 | OMe | 56.00 | 4 |
| C7 | OMe | 56.20 | 4 |
| C8 | OMe | 56.20 | 4 |
| C37 | A | 93.52 | 1 |
| C38 | A | 93.52 | 1 |
| C15 | B2 | 108.42 | 1 |
| C16 | B2 | 108.42 | 1 |
| C19 | A2 | 111.83 | 1 |
| C20 | A2 | 111.83 | 1 |
| C13 | B6 | 115.44 | 1 |
| C14 | B6 | 115.44 | 1 |
| C17 | A6 | 122.01 | 1 |
| C18 | A6 | 122.01 | 1 |
| C29 | A5 | 123.90 | 1 |
| C30 | A5 | 123.90 | 1 |
| C23 | B1 | 132.15 | 1 |
| C24 | B1 | 132.15 | 1 |
| C25 | A1 | 132.96 | 1 |
| C26 | A1 | 132.96 | 1 |
| C27 | B5 | 136.28 | 1 |
| C28 | B5 | 136.28 | 1 |
| C33 | B3 | 142.71 | 1 |
| C34 | B3 | 142.71 | 1 |
| C35 | A4 | 143.82 | 1 |
| C36 | A4 | 143.82 | 1 |
| C31 | A3 | 145.34 | 1 |
| C32 | A3 | 145.34 | 1 |
| C39 | B4 | 147.41 | 1 |
| C40 | B4 | 147.41 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BG | 14.10 | 1 |
| C2 | BG | 14.10 | 1 |
| C3 | G | 17.87 | 1 |
| C4 | G | 17.87 | 1 |
| C9 | BB | 25.79 | 1 |
| C10 | BB | 25.79 | 1 |
| C11 | BA | 38.54 | 1 |
| C12 | BA | 38.54 | 1 |
| C21 | B | 46.48 | 1 |
| C22 | B | 46.48 | 1 |
| C5 | OMe | 56.40 | 4 |
| C6 | OMe | 56.40 | 4 |
| C7 | OMe | 56.50 | 4 |
| C8 | OMe | 56.50 | 4 |
| C37 | A | 93.84 | 1 |
| C38 | A | 93.84 | 1 |
| C15 | B2 | 109.38 | 1 |
| C16 | B2 | 109.38 | 1 |
| C19 | A2 | 113.57 | 1 |
| C20 | A2 | 113.57 | 1 |
| C13 | B6 | 116.40 | 1 |
| C14 | B6 | 116.40 | 1 |
| C17 | A6 | 122.57 | 1 |
| C18 | A6 | 122.57 | 1 |
| C29 | A5 | 125.82 | 1 |
| C30 | A5 | 125.82 | 1 |
| C23 | B1 | 132.38 | 1 |
| C24 | B1 | 132.38 | 1 |
| C25 | A1 | 134.15 | 1 |
| C26 | A1 | 134.15 | 1 |
| C27 | B5 | 136.65 | 1 |
| C28 | B5 | 136.65 | 1 |
| C33 | B3 | 144.74 | 1 |
| C34 | B3 | 144.74 | 1 |
| C35 | A4 | 144.79 | 1 |
| C36 | A4 | 144.79 | 1 |
| C31 | A3 | 146.58 | 1 |
| C32 | A3 | 146.58 | 1 |
| C39 | B4 | 148.76 | 1 |
| C40 | B4 | 148.76 | 1 |
| H50 | BG | 0.92 | 1 |
| H49 | BG | 0.92 | 1 |
| H51 | BG | 0.92 | 1 |
| H52 | BG | 0.92 | 1 |
| H54 | BG | 0.92 | 1 |
| H53 | BG | 0.92 | 1 |
| H56 | G | 1.37 | 1 |
| H57 | G | 1.37 | 1 |
| H55 | G | 1.37 | 1 |
| H58 | G | 1.37 | 1 |
| H60 | G | 1.37 | 1 |
| H59 | G | 1.37 | 1 |
| H73 | BB | 1.61 | 1 |
| H74 | BB | 1.61 | 1 |
| H75 | BB | 1.61 | 1 |
| H76 | BB | 1.61 | 1 |
| H77 | BA | 2.52 | 1 |
| H78 | BA | 2.52 | 1 |
| H79 | BA | 2.52 | 1 |
| H80 | BA | 2.52 | 1 |
| H89 | B | 3.44 | 1 |
| H90 | B | 3.44 | 1 |
| H63 | OMe | 3.80 | 4 |
| H62 | OMe | 3.80 | 4 |
| H61 | OMe | 3.80 | 4 |
| H66 | OMe | 3.80 | 4 |
| H65 | OMe | 3.80 | 4 |
| H64 | OMe | 3.80 | 4 |
| H68 | OMe | 3.89 | 4 |
| H69 | OMe | 3.89 | 4 |
| H67 | OMe | 3.89 | 4 |
| H70 | OMe | 3.89 | 4 |
| H72 | OMe | 3.89 | 4 |
| H71 | OMe | 3.89 | 4 |
| H91 | A | 5.09 | 1 |
| H92 | A | 5.09 | 1 |
| H83 | B2 | 6.63 | 1 |
| H84 | B2 | 6.63 | 1 |
| H81 | B6 | 6.68 | 1 |
| H82 | B6 | 6.68 | 1 |
| H87 | A2 | 7.02 | 1 |
| H88 | A2 | 7.02 | 1 |
| H85 | A6 | 7.11 | 1 |
| H86 | A6 | 7.11 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BG | 13.77 | 1 |
| C2 | BG | 13.77 | 1 |
| C3 | G | 17.28 | 1 |
| C4 | G | 17.28 | 1 |
| C9 | BB | 24.62 | 1 |
| C10 | BB | 24.62 | 1 |
| C11 | BA | 37.32 | 1 |
| C12 | BA | 37.32 | 1 |
| C21 | B | 44.80 | 1 |
| C22 | B | 44.80 | 1 |
| C5 | OMe | 55.66 | 4 |
| C6 | OMe | 55.66 | 4 |
| C7 | OMe | 55.94 | 4 |
| C8 | OMe | 55.94 | 4 |
| C37 | A | 92.39 | 1 |
| C38 | A | 92.39 | 1 |
| C15 | B2 | 108.67 | 1 |
| C16 | B2 | 108.67 | 1 |
| C19 | A2 | 112.19 | 1 |
| C20 | A2 | 112.19 | 1 |
| C13 | B6 | 115.42 | 1 |
| C14 | B6 | 115.42 | 1 |
| C17 | A6 | 121.57 | 1 |
| C18 | A6 | 121.57 | 1 |
| C29 | A5 | 125.33 | 1 |
| C30 | A5 | 125.33 | 1 |
| C23 | B1 | 129.98 | 1 |
| C24 | B1 | 129.98 | 1 |
| C25 | A1 | 132.94 | 1 |
| C26 | A1 | 132.94 | 1 |
| C27 | B5 | 135.41 | 1 |
| C28 | B5 | 135.41 | 1 |
| C33 | B3 | 143.32 | 1 |
| C34 | B3 | 143.32 | 1 |
| C35 | A4 | 143.78 | 1 |
| C36 | A4 | 143.78 | 1 |
| C31 | A3 | 144.91 | 1 |
| C32 | A3 | 144.91 | 1 |
| C39 | B4 | 147.74 | 1 |
| C40 | B4 | 147.74 | 1 |