Lignin_cw_compound_3022 (C31 H32 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 564.57978
This is of the category: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | BGOMe | 51.55 | 1 |
| C3 | CGOMe | 51.66 | 1 |
| C1 | A3OMe | 55.83 | 1 |
| C2 | B3OMe | 55.96 | 1 |
| C19 | G | 61.29 | 1 |
| C31 | A | 78.46 | 1 |
| C28 | B | 86.25 | 1 |
| C17 | B2 | 110.87 | 1 |
| C18 | A2 | 109.37 | 1 |
| C13 | A5 | 114.49 | 1 |
| C15 | CB | 115.62 | 1 |
| C16 | BB | 116.77 | 1 |
| C5 | C2 | 116.28 | 1 |
| C6 | C6 | 116.28 | 1 |
| C14 | B5 | 120.21 | 1 |
| C10 | A6 | 119.50 | 1 |
| C7 | B6 | 122.14 | 1 |
| C20 | C1 | 127.67 | 1 |
| C21 | B1 | 129.92 | 1 |
| C22 | A1 | 129.32 | 1 |
| C11 | C3 | 129.57 | 1 |
| C12 | C5 | 129.57 | 1 |
| C8 | CA | 144.21 | 1 |
| C9 | BA | 144.28 | 1 |
| C24 | A4 | 145.68 | 1 |
| C26 | A3 | 146.78 | 1 |
| C25 | B4 | 149.40 | 1 |
| C27 | B3 | 151.14 | 1 |
| C23 | C4 | 159.30 | 1 |
| C29 | CG | 167.39 | 1 |
| C30 | BG | 167.64 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | BGOMe | 51.52 | 1 |
| C3 | CGOMe | 51.56 | 1 |
| C1 | A3OMe | 56.22 | 1 |
| C2 | B3OMe | 56.32 | 1 |
| C19 | G | 61.31 | 1 |
| C31 | A | 79.44 | 1 |
| C28 | B | 84.21 | 1 |
| C17 | B2 | 112.14 | 1 |
| C18 | A2 | 112.21 | 1 |
| C13 | A5 | 115.38 | 1 |
| C15 | CB | 116.16 | 1 |
| C16 | BB | 116.59 | 1 |
| C5 | C2 | 117.23 | 1 |
| C6 | C6 | 117.23 | 1 |
| C14 | B5 | 117.54 | 1 |
| C10 | A6 | 121.53 | 1 |
| C7 | B6 | 123.04 | 1 |
| C20 | C1 | 128.13 | 1 |
| C21 | B1 | 129.21 | 1 |
| C22 | A1 | 129.39 | 1 |
| C11 | C3 | 130.42 | 1 |
| C12 | C5 | 130.42 | 1 |
| C8 | CA | 144.89 | 1 |
| C9 | BA | 145.23 | 1 |
| C24 | A4 | 147.29 | 1 |
| C26 | A3 | 148.17 | 1 |
| C25 | B4 | 151.24 | 1 |
| C27 | B3 | 151.54 | 1 |
| C23 | C4 | 160.57 | 1 |
| C29 | CG | 167.68 | 1 |
| C30 | BG | 167.71 | 1 |
| H51 | BGOMe | 3.696 | 1 |
| H53 | BGOMe | 3.696 | 1 |
| H52 | BGOMe | 3.696 | 1 |
| H49 | CGOMe | 3.720 | 1 |
| H48 | CGOMe | 3.720 | 1 |
| H50 | CGOMe | 3.720 | 1 |
| H44 | A3OMe | 3.804 | 1 |
| H42 | A3OMe | 3.804 | 1 |
| H43 | A3OMe | 3.804 | 1 |
| H46 | B3OMe | 3.853 | 1 |
| H45 | B3OMe | 3.853 | 1 |
| H47 | B3OMe | 3.853 | 1 |
| H68 | G | 3.95 | 1 |
| H69 | G | 3.95 | 1 |
| H70 | B | 4.791 | 1 |
| H71 | A | 5.621 | 1 |
| H64 | CB | 6.330 | 1 |
| H65 | BB | 6.417 | 1 |
| H62 | A5 | 6.798 | 1 |
| H54 | C2 | 6.978 | 1 |
| H55 | C6 | 6.978 | 1 |
| H59 | A6 | 7.013 | 1 |
| H63 | B5 | 7.065 | 1 |
| H56 | B6 | 7.123 | 1 |
| H67 | A2 | 7.205 | 1 |
| H66 | B2 | 7.283 | 1 |
| H60 | C3 | 7.493 | 1 |
| H61 | C5 | 7.493 | 1 |
| H57 | CA | 7.554 | 1 |
| H58 | BA | 7.584 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | BGOMe | 51.27 | 1 |
| C3 | CGOMe | 51.28 | 1 |
| C1 | A3OMe | 55.48 | 1 |
| C2 | B3OMe | 55.79 | 1 |
| C19 | G | 59.66 | 1 |
| C31 | A | 77.95 | 1 |
| C28 | B | 81.84 | 1 |
| C17 | B2 | 111.43 | 1 |
| C18 | A2 | 112.01 | 1 |
| C13 | A5 | 114.89 | 1 |
| C15 | CB | 115.16 | 1 |
| C16 | BB | 115.24 | 1 |
| C5 | C2 | 116.22 | 1 |
| C6 | C6 | 116.22 | 1 |
| C14 | B5 | 115.45 | 1 |
| C10 | A6 | 120.44 | 1 |
| C7 | B6 | 122.48 | 1 |
| C20 | C1 | 126.79 | 1 |
| C21 | B1 | 127.27 | 1 |
| C22 | A1 | 127.54 | 1 |
| C11 | C3 | 129.91 | 1 |
| C12 | C5 | 129.91 | 1 |
| C8 | CA | 144.18 | 1 |
| C9 | BA | 144.61 | 1 |
| C24 | A4 | 146.27 | 1 |
| C26 | A3 | 147.24 | 1 |
| C25 | B4 | 149.76 | 1 |
| C27 | B3 | 150.11 | 1 |
| C23 | C4 | 159.25 | 1 |
| C29 | CG | 166.86 | 1 |
| C30 | BG | 166.95 | 1 |