Lignin_cw_compound_2071 (C28 H30 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 526.5318
This is of the category: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BOMe | 56.01 | 1 |
| C2 | BOMe | 56.01 | 1 |
| C3 | AOMe | 56.25 | 1 |
| C4 | AOMe | 56.25 | 1 |
| C16 | G | 63.92 | 1 |
| C26 | A | 74.66 | 1 |
| C24 | B | 87.07 | 1 |
| C14 | A2 | 103.75 | 1 |
| C15 | A6 | 103.75 | 1 |
| C6 | B2 | 105.16 | 1 |
| C7 | B6 | 105.16 | 1 |
| C13 | CB | 114.87 | 1 |
| C11 | C3 | 115.97 | 1 |
| C12 | C5 | 115.97 | 1 |
| C5 | B1 | 124.30 | 1 |
| C17 | C1 | 126.83 | 1 |
| C8 | C2 | 129.98 | 1 |
| C9 | C6 | 129.98 | 1 |
| C18 | A1 | 130.58 | 1 |
| C27 | A4 | 134.50 | 1 |
| C28 | B4 | 136.62 | 1 |
| C10 | CA | 144.86 | 1 |
| C22 | A3 | 146.99 | 1 |
| C23 | A5 | 146.99 | 1 |
| C20 | B3 | 152.93 | 1 |
| C21 | B5 | 152.93 | 1 |
| C19 | C4 | 158.23 | 1 |
| C25 | CG | 167.12 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BOMe | 56.44 | 1 |
| C2 | BOMe | 56.44 | 1 |
| C3 | AOMe | 56.59 | 1 |
| C4 | AOMe | 56.59 | 1 |
| C16 | G | 64.78 | 1 |
| C26 | A | 74.81 | 1 |
| C24 | B | 86.87 | 1 |
| C14 | A2 | 105.39 | 1 |
| C15 | A6 | 105.39 | 1 |
| C6 | B2 | 106.35 | 1 |
| C7 | B6 | 106.35 | 1 |
| C13 | CB | 115.52 | 1 |
| C11 | C3 | 116.68 | 1 |
| C12 | C5 | 116.68 | 1 |
| C5 | B1 | 124.72 | 1 |
| C17 | C1 | 126.97 | 1 |
| C8 | C2 | 130.92 | 1 |
| C9 | C6 | 130.92 | 1 |
| C18 | A1 | 132.00 | 1 |
| C27 | A4 | 136.27 | 1 |
| C28 | B4 | 137.85 | 1 |
| C10 | CA | 145.28 | 1 |
| C22 | A3 | 148.38 | 1 |
| C23 | A5 | 148.38 | 1 |
| C20 | B3 | 154.03 | 1 |
| C21 | B5 | 154.03 | 1 |
| C19 | C4 | 160.58 | 1 |
| C25 | CG | 167.12 | 1 |
| H47 | A3OMe | 3.76 | 1 |
| H46 | A3OMe | 3.76 | 1 |
| H45 | A3OMe | 3.76 | 1 |
| H50 | A5OMe | 3.76 | 1 |
| H49 | A5OMe | 3.76 | 1 |
| H48 | A5OMe | 3.76 | 1 |
| H39 | B3OMe | 3.83 | 1 |
| H41 | B3OMe | 3.83 | 1 |
| H40 | B3OMe | 3.83 | 1 |
| H43 | B5OMe | 3.83 | 1 |
| H42 | B5OMe | 3.83 | 1 |
| H44 | B5OMe | 3.83 | 1 |
| H62 | G1 | 4.06 | 1 |
| H64 | B | 4.27 | 1 |
| H63 | G2 | 4.45 | 1 |
| H65 | A | 5.00 | 1 |
| H67 | AOH | 4.60 | 1 |
| H59 | CB | 6.33 | 1 |
| H52 | B2 | 6.68 | 1 |
| H53 | B6 | 6.68 | 1 |
| H60 | A2 | 6.67 | 1 |
| H61 | A1 | 6.67 | 1 |
| H57 | C3 | 6.89 | 1 |
| H58 | C5 | 6.89 | 1 |
| H51 | B1 | 7.01 | 1 |
| H56 | CA | 7.48 | 1 |
| H54 | C2 | 7.53 | 1 |
| H55 | C6 | 7.53 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BOMe | 55.78 | 2 |
| C2 | BOMe | 55.78 | 2 |
| C3 | AOMe | 55.93 | 1 |
| C4 | AOMe | 55.93 | 1 |
| C16 | G | 64.09 | 1 |
| C26 | A | 72.17 | 1 |
| C24 | B | 83.84 | 1 |
| C14 | A2 | 104.32 | 1 |
| C15 | A6 | 104.32 | 1 |
| C6 | B2 | 105.58 | 1 |
| C7 | B6 | 105.58 | 1 |
| C13 | CB | 114.12 | 1 |
| C11 | C3 | 115.82 | 1 |
| C12 | C5 | 115.82 | 1 |
| C5 | B1 | 123.62 | 1 |
| C17 | C1 | 125.07 | 1 |
| C8 | C2 | 130.21 | 1 |
| C9 | C6 | 130.21 | 1 |
| C18 | A1 | 131.16 | 1 |
| C27 | A4 | 134.63 | 1 |
| C28 | B4 | 136.12 | 1 |
| C10 | CA | 144.38 | 1 |
| C22 | A3 | 147.49 | 1 |
| C23 | A5 | 147.49 | 1 |
| C20 | B3 | 152.97 | 1 |
| C21 | B5 | 152.97 | 1 |
| C19 | C4 | 159.80 | 1 |
| C25 | CG | 166.25 | 1 |