Lignin_cw_compound_2060 (C39 H36 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 664.69714
This is of the category: Tetramers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C32 | B | 50.40 | 1 |
| C2 | A3OMe | 55.90 | 1 |
| C1 | A4OMe | 55.90 | 1 |
| C3 | B3OMe | 56.03 | 1 |
| C20 | BG | 65.19 | 1 |
| C24 | G | 65.38 | 1 |
| C38 | A | 88.86 | 1 |
| C23 | A2 | 109.31 | 1 |
| C22 | B2 | 110.67 | 1 |
| C17 | A5 | 111.06 | 1 |
| C19 | DB | 114.53 | 1 |
| C18 | CB | 115.14 | 1 |
| C21 | B6 | 115.39 | 1 |
| C15 | D3 | 115.93 | 3 |
| C16 | D5 | 115.83 | 3 |
| C13 | C3 | 115.96 | 3 |
| C14 | C5 | 115.96 | 3 |
| C12 | A6 | 118.91 | 1 |
| C4 | BB | 121.37 | 1 |
| C26 | D1 | 126.75 | 1 |
| C25 | C1 | 126.98 | 1 |
| C21 | B5 | 127.79 | 1 |
| C6 | C2 | 130.00 | 3 |
| C7 | C6 | 130.00 | 3 |
| C8 | D2 | 130.06 | 3 |
| C9 | D6 | 130.06 | 3 |
| C27 | B1 | 130.62 | 1 |
| C28 | A1 | 132.86 | 1 |
| C5 | BA | 134.27 | 1 |
| C35 | B3 | 144.40 | 1 |
| C10 | CA | 144.94 | 1 |
| C11 | DA | 145.40 | 1 |
| C39 | B4 | 148.27 | 1 |
| C34 | A3 | 149.14 | 1 |
| C33 | A4 | 149.17 | 1 |
| C30 | D4 | 158.05 | 1 |
| C29 | C4 | 158.23 | 1 |
| C36 | CG | 167.20 | 1 |
| C37 | DG | 167.37 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C32 | B | 49.47 | 1 |
| C2 | A3OMe | 55.48 | 1 |
| C1 | A4OMe | 55.76 | 1 |
| C3 | B3OMe | 55.82 | 1 |
| C20 | BG | 64.46 | 1 |
| C24 | G | 64.80 | 1 |
| C38 | A | 87.87 | 1 |
| C23 | A2 | 110.01 | 1 |
| C22 | B2 | 111.03 | 1 |
| C17 | A5 | 111.67 | 1 |
| C18 | DB | 113.68 | 1 |
| C19 | CB | 114.05 | 1 |
| C21 | B6 | 115.31 | 1 |
| C13 | D3 | 115.77 | 3 |
| C14 | D5 | 115.77 | 3 |
| C15 | C3 | 115.77 | 3 |
| C16 | C5 | 115.77 | 3 |
| C12 | A6 | 118.66 | 1 |
| C4 | BB | 121.56 | 1 |
| C25 | D1 | 124.94 | 1 |
| C26 | C1 | 125.08 | 1 |
| C21 | B5 | 128.08 | 1 |
| C8 | C2 | 130.34 | 3 |
| C9 | C6 | 130.34 | 3 |
| C6 | D2 | 130.34 | 3 |
| C7 | D6 | 130.34 | 3 |
| C27 | B1 | 130.06 | 1 |
| C28 | A1 | 133.61 | 1 |
| C5 | BA | 132.79 | 1 |
| C35 | B3 | 143.91 | 1 |
| C11 | CA | 144.89 | 1 |
| C10 | DA | 145.13 | 1 |
| C39 | B4 | 147.65 | 1 |
| C34 | A3 | 148.72 | 1 |
| C33 | A4 | 148.81 | 1 |
| C29 | D4 | 159.87 | 1 |
| C30 | C4 | 159.94 | 1 |
| C37 | CG | 166.38 | 1 |
| C36 | DG | 166.38 | 1 |
| H55 | A3OMe | 3.77 | 1 |
| H54 | A3OMe | 3.77 | 1 |
| H53 | A3OMe | 3.77 | 1 |
| H52 | A4OMe | 3.77 | 1 |
| H51 | A4OMe | 3.77 | 1 |
| H50 | A4OMe | 3.77 | 1 |
| H82 | B | 3.85 | 1 |
| H57 | B3OMe | 3.88 | 1 |
| H56 | B3OMe | 3.88 | 1 |
| H58 | B3OMe | 3.88 | 1 |
| H80 | G1 | 4.45 | 2 |
| H81 | G2 | 4.58 | 2 |
| H75 | BG | 4.78 | 2 |
| H76 | BG | 4.78 | 2 |
| H83 | a | 5.61 | 1 |
| H52 | BB | 6.31 | 1 |
| H73 | DB | 6.33 | 1 |
| H74 | CB | 6.37 | 1 |
| H60 | BA | 6.70 | 1 |
| H70 | C3 | 6.88 | 3 |
| H71 | C5 | 6.88 | 3 |
| H68 | D3 | 6.88 | 3 |
| H69 | D5 | 6.88 | 3 |
| H72 | A5 | 6.93 | 1 |
| H67 | A6 | 7.00 | 1 |
| H79 | A2 | 7.07 | 1 |
| H78 | B2 | 7.07 | 1 |
| H77 | B6 | 7.11 | 1 |
| H61 | D2 | 7.51 | 3 |
| H62 | D6 | 7.51 | 3 |
| H63 | C2 | 7.54 | 3 |
| H64 | C6 | 7.54 | 3 |
| H66 | CA | 7.63 | 1 |
| H65 | DA | 7.53 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C32 | B | 49.47 | 1 |
| C2 | A3OMe | 55.48 | 1 |
| C1 | A4OMe | 55.76 | 1 |
| C3 | B3OMe | 55.82 | 1 |
| C20 | BG | 64.46 | 1 |
| C24 | G | 64.80 | 1 |
| C38 | A | 87.87 | 1 |
| C23 | A2 | 110.01 | 1 |
| C22 | B2 | 111.03 | 1 |
| C17 | A5 | 111.67 | 1 |
| C19 | DB | 113.68 | 1 |
| C18 | CB | 114.05 | 1 |
| C21 | B6 | 115.31 | 1 |
| C15 | D3 | 115.77 | 3 |
| C16 | D5 | 115.77 | 3 |
| C13 | C3 | 115.77 | 3 |
| C14 | C5 | 115.77 | 3 |
| C12 | A6 | 118.66 | 1 |
| C4 | BB | 121.56 | 1 |
| C26 | D1 | 124.94 | 1 |
| C25 | C1 | 125.08 | 1 |
| C21 | B5 | 128.08 | 1 |
| C6 | C2 | 130.34 | 3 |
| C7 | C6 | 130.34 | 3 |
| C8 | D2 | 130.34 | 3 |
| C9 | D6 | 130.34 | 3 |
| C27 | B1 | 130.06 | 1 |
| C28 | A1 | 133.61 | 1 |
| C5 | BA | 132.79 | 1 |
| C35 | B3 | 143.91 | 1 |
| C10 | CA | 144.89 | 1 |
| C11 | DA | 145.13 | 1 |
| C39 | B4 | 147.65 | 1 |
| C34 | A3 | 148.72 | 1 |
| C33 | A4 | 148.81 | 1 |
| C30 | D4 | 159.87 | 1 |
| C29 | C4 | 159.94 | 1 |
| C36 | CG | 166.38 | 1 |
| C37 | DG | 166.38 | 1 |