Lignin_cw_compound_77 (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 | 20.75 | 4 |
| C3 | AcMe | 21.09 | 4 |
| C4 | OMe | 55.82 | 4 |
| C5 | OMe | 55.94 | 4 |
| C19 | G | 62.73 | 1 |
| C32 | A | 74.12 | 1 |
| C30 | B | 80.25 | 1 |
| C18 | A2 | 111.88 | 1 |
| C8 | B2 | 112.68 | 1 |
| C17 | CB | 117.66 | 1 |
| C9 | B5 | 119.58 | 1 |
| C13 | A6 | 119.66 | 1 |
| C7 | B6 | 121.02 | 1 |
| C14 | C3 | 122.15 | 1 |
| C15 | C5 | 122.15 | 1 |
| C16 | A5 | 122.60 | 1 |
| C6 | B1 | 123.63 | 1 |
| C10 | C2 | 129.31 | 1 |
| C11 | C6 | 129.31 | 1 |
| C12 | C1 | 131.91 | 1 |
| C24 | A1 | 135.38 | 1 |
| C28 | A4 | 139.78 | 1 |
| C12 | CA | 144.58 | 1 |
| C27 | B4 | 147.18 | 1 |
| C26 | B3 | 151.01 | 1 |
| C29 | A3 | 151.15 | 1 |
| C25 | C4 | 152.28 | 1 |
| C31 | CG | 165.33 | 1 |
| C20 | AcC=O | 168.74 | 4 |
| C21 | AcC=O | 168.99 | 4 |
| C22 | AcC=O | 170.72 | 4 |
| H46 | AcMe | 2.02 | 4 |
| H47 | AcMe | 2.02 | 4 |
| H48 | AcMe | 2.02 | 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 | 3.81 | 4 |
| H57 | OMe | 3.81 | 4 |
| H58 | OMe | 3.81 | 4 |
| H72 | G1 | 4.32 | 1 |
| H73 | G2 | 4.48 | 1 |
| H74 | B | 4.77 | 1 |
| H75 | A | 6.20 | 1 |
| H70 | CB | 6.44 | 1 |
| H63 | C2 | 7.13 | 1 |
| H64 | C6 | 7.13 | 1 |
| H67 | C3 | 7.53 | 1 |
| H68 | C5 | 7.53 | 1 |
| H32 | CA | 7.65 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.46 | 4 |
| C2 | AcMe | 20.62 | 4 |
| C3 | AcMe | 20.95 | 4 |
| C4 | OMe | 56.24 | 4 |
| C5 | OMe | 56.31 | 4 |
| C19 | G | 63.16 | 1 |
| C32 | A | 74.97 | 1 |
| C30 | B | 80.43 | 1 |
| C18 | A2 | 112.82 | 1 |
| C8 | B2 | 113.82 | 1 |
| C17 | CB | 118.65 | 1 |
| C9 | B5 | 119.87 | 1 |
| C13 | A6 | 120.45 | 1 |
| C7 | B6 | 121.67 | 1 |
| C14 | C3 | 123.20 | 1 |
| C15 | C5 | 123.20 | 1 |
| C16 | A5 | 123.38 | 1 |
| C6 | B1 | 124.06 | 1 |
| C10 | C2 | 130.25 | 1 |
| C11 | C6 | 130.25 | 1 |
| C12 | C1 | 132.79 | 1 |
| C24 | A1 | 136.60 | 1 |
| C28 | A4 | 140.82 | 1 |
| C12 | CA | 145.09 | 1 |
| C27 | B4 | 148.38 | 1 |
| C26 | B3 | 152.04 | 1 |
| C29 | A3 | 152.11 | 1 |
| C25 | C4 | 153.54 | 1 |
| C31 | CG | 165.76 | 1 |
| C20 | AcC=O | 168.85 | 4 |
| C21 | AcC=O | 169.36 | 4 |
| C22 | AcC=O | 170.71 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.30 | 4 |
| C2 | AcMe | 20.39 | 4 |
| C3 | AcMe | 20.79 | 4 |
| C4 | OMe | 55.61 | 4 |
| C5 | OMe | 55.74 | 4 |
| C19 | G | 62.06 | 1 |
| C32 | A | 73.50 | 1 |
| C30 | B | 78.57 | 1 |
| C18 | A2 | 111.73 | 1 |
| C8 | B2 | 112.91 | 1 |
| C17 | CB | 117.55 | 1 |
| C9 | B5 | 118.04 | 1 |
| C13 | A6 | 119.31 | 1 |
| C7 | B6 | 120.68 | 1 |
| C14 | C3 | 122.31 | 1 |
| C15 | C5 | 122.31 | 1 |
| C16 | A5 | 122.52 | 1 |
| C6 | B1 | 122.89 | 1 |
| C10 | C2 | 129.65 | 1 |
| C11 | C6 | 129.65 | 1 |
| C12 | C1 | 131.49 | 1 |
| C24 | A1 | 135.32 | 1 |
| C28 | A4 | 139.12 | 1 |
| C12 | CA | 144.32 | 1 |
| C27 | B4 | 146.76 | 1 |
| C26 | B3 | 150.34 | 1 |
| C29 | A3 | 150.57 | 1 |
| C25 | C4 | 152.10 | 1 |
| C31 | CG | 164.86 | 1 |
| C20 | AcC=O | 168.32 | 4 |
| C21 | AcC=O | 168.82 | 4 |
| C22 | AcC=O | 169.95 | 4 |