Lignin_cw_compound_78 (C32 H32 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 592.58988
This is of the category: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid
Concentration: Saturated (Source: Richard F. Helm)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.64 | 4 |
| C2 | AcMe | 20.72 | 4 |
| C3 | AcMe | 21.10 | 4 |
| C4 | OMe | 55.77 | 4 |
| C5 | OMe | 55.97 | 4 |
| C19 | G | 63.26 | 1 |
| C32 | A | 74.96 | 1 |
| C30 | B | 80.52 | 1 |
| C18 | A2 | 111.71 | 1 |
| C8 | B2 | 112.47 | 1 |
| C17 | CB | 117.78 | 1 |
| C9 | B5 | 118.91 | 1 |
| C13 | A6 | 119.49 | 1 |
| C7 | B6 | 120.96 | 1 |
| C14 | C3 | 122.14 | 1 |
| C15 | C5 | 122.14 | 1 |
| C16 | A5 | 122.84 | 1 |
| C6 | B1 | 123.30 | 1 |
| C10 | C2 | 129.26 | 1 |
| C11 | C6 | 129.26 | 1 |
| C12 | C1 | 131.96 | 1 |
| C24 | A1 | 135.41 | 1 |
| C28 | A4 | 139.94 | 1 |
| C12 | CA | 144.34 | 1 |
| C27 | B4 | 148.08 | 1 |
| C26 | B3 | 150.89 | 1 |
| C29 | A3 | 151.14 | 1 |
| C25 | C4 | 152.23 | 1 |
| C31 | CG | 165.46 | 1 |
| C20 | AcC=O | 168.70 | 4 |
| C21 | AcC=O | 169.02 | 4 |
| C22 | AcC=O | 170.56 | 4 |
| H46 | AcMe | 2.01 | 4 |
| H47 | AcMe | 2.01 | 4 |
| H48 | AcMe | 2.01 | 4 |
| H49 | AcMe | 2.28 | 4 |
| H50 | AcMe | 2.28 | 4 |
| H51 | AcMe | 2.28 | 4 |
| H52 | AcMe | 2.30 | 4 |
| H53 | AcMe | 2.30 | 4 |
| H54 | AcMe | 2.30 | 4 |
| H53 | OMe | 3.77 | 4 |
| H54 | OMe | 3.77 | 4 |
| H55 | OMe | 3.77 | 4 |
| H56 | OMe | 3.82 | 4 |
| H57 | OMe | 3.82 | 4 |
| H58 | OMe | 3.82 | 4 |
| H72 | G1 | 4.14 | 1 |
| H73 | G2 | 4.36 | 1 |
| H74 | B | 4.72 | 1 |
| H75 | A | 6.23 | 1 |
| H70 | CB | 6.37 | 1 |
| H63 | C2 | 7.12 | 1 |
| H64 | C6 | 7.12 | 1 |
| H67 | C3 | 7.49 | 1 |
| H68 | C5 | 7.49 | 1 |
| H32 | CA | 7.55 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.44 | 4 |
| C2 | AcMe | 20.60 | 4 |
| C3 | AcMe | 20.95 | 4 |
| C4 | OMe | 56.17 | 4 |
| C5 | OMe | 56.31 | 4 |
| C19 | G | 63.69 | 1 |
| C32 | A | 75.78 | 1 |
| C30 | B | 80.86 | 1 |
| C18 | A2 | 112.73 | 1 |
| C8 | B2 | 113.68 | 1 |
| C17 | CB | 118.73 | 1 |
| C9 | B5 | 119.33 | 1 |
| C13 | A6 | 120.27 | 1 |
| C7 | B6 | 121.62 | 1 |
| C14 | C3 | 123.16 | 1 |
| C15 | C5 | 123.16 | 1 |
| C16 | A5 | 123.56 | 1 |
| C6 | B1 | 123.75 | 1 |
| C10 | C2 | 130.15 | 1 |
| C11 | C6 | 132.78 | 1 |
| C12 | C1 | 132.78 | 1 |
| C24 | A1 | 136.68 | 1 |
| C28 | A4 | 140.94 | 1 |
| C12 | CA | 144.86 | 1 |
| C27 | B4 | 149.10 | 1 |
| C26 | B3 | 151.87 | 1 |
| C29 | A3 | 152.21 | 1 |
| C25 | C4 | 153.47 | 1 |
| C31 | CG | 165.84 | 1 |
| C20 | AcC=O | 168.77 | 4 |
| C21 | AcC=O | 169.32 | 4 |
| C22 | AcC=O | 170.62 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.29 | 4 |
| C2 | AcMe | 20.38 | 4 |
| C3 | AcMe | 20.78 | 4 |
| C4 | OMe | 55.53 | 4 |
| C5 | OMe | 55.80 | 4 |
| C19 | G | 62.58 | 1 |
| C32 | A | 74.61 | 1 |
| C30 | B | 79.18 | 1 |
| C18 | A2 | 111.71 | 1 |
| C8 | B2 | 112.71 | 1 |
| C17 | CB | 117.56 | 1 |
| C9 | B5 | 117.63 | 1 |
| C13 | A6 | 119.36 | 1 |
| C7 | B6 | 120.62 | 1 |
| C14 | C3 | 122.28 | 1 |
| C15 | C5 | 122.28 | 1 |
| C16 | A5 | 122.57 | 1 |
| C6 | B1 | 122.69 | 1 |
| C10 | C2 | 129.56 | 1 |
| C11 | C6 | 129.56 | 1 |
| C12 | C1 | 131.50 | 1 |
| C24 | A1 | 135.44 | 1 |
| C28 | A4 | 139.25 | 1 |
| C12 | CA | 144.10 | 1 |
| C27 | B4 | 147.56 | 1 |
| C26 | B3 | 150.17 | 1 |
| C29 | A3 | 150.69 | 1 |
| C25 | C4 | 152.04 | 1 |
| C31 | CG | 165.03 | 1 |
| C20 | AcC=O | 168.27 | 4 |
| C21 | AcC=O | 168.81 | 4 |
| C22 | AcC=O | 169.90 | 4 |