Lignin_cw_compound_2080 (C32 H34 O12)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 610.60516
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 | AcMe | 20.26 | 4 |
| C2 | AcMe | 20.94 | 4 |
| C5 | AOMe | 56.38 | 1 |
| C6 | AOMe | 56.38 | 1 |
| C3 | BOMe | 56.48 | 1 |
| C4 | BOMe | 56.48 | 1 |
| C18 | G | 63.67 | 1 |
| C30 | A | 73.30 | 1 |
| C28 | B | 84.07 | 1 |
| C16 | A2 | 103.76 | 1 |
| C17 | A6 | 103.76 | 1 |
| C8 | B2 | 106.31 | 1 |
| C9 | B6 | 106.31 | 1 |
| C15 | CB | 119.10 | 1 |
| C13 | C3 | 123.16 | 1 |
| C14 | C5 | 123.16 | 1 |
| C7 | B1 | 124.83 | 1 |
| C32 | A4 | 128.69 | 1 |
| C10 | C2 | 130.11 | 1 |
| C11 | C6 | 130.11 | 1 |
| C21 | C1 | 132.93 | 1 |
| C31 | B4 | 136.57 | 1 |
| C22 | A1 | 140.05 | 1 |
| C12 | CA | 144.00 | 1 |
| C26 | A3 | 152.94 | 1 |
| C27 | A5 | 152.94 | 1 |
| C23 | C4 | 153.36 | 1 |
| C24 | B3 | 154.51 | 1 |
| C25 | B5 | 154.51 | 1 |
| C29 | CG | 166.71 | 1 |
| C19 | AcC=O | 168.59 | 4 |
| C20 | AcC=O | 169.45 | 4 |
| H46 | AcMe | 2.19 | 4 |
| H47 | AcMe | 2.19 | 4 |
| H45 | AcMe | 2.19 | 4 |
| H49 | AcMe | 2.26 | 4 |
| H50 | AcMe | 2.26 | 4 |
| H48 | AcMe | 2.26 | 4 |
| H58 | AOMe | 3.78 | 1 |
| H59 | AOMe | 3.78 | 1 |
| H57 | AOMe | 3.78 | 1 |
| H60 | AOMe | 3.78 | 1 |
| H61 | AOMe | 3.78 | 1 |
| H62 | AOMe | 3.78 | 1 |
| H51 | BOMe | 3.83 | 1 |
| H53 | BOMe | 3.83 | 1 |
| H52 | BOMe | 3.83 | 1 |
| H55 | BOMe | 3.83 | 1 |
| H54 | BOMe | 3.83 | 1 |
| H56 | BOMe | 3.83 | 1 |
| H74 | G1 | 4.30 | 1 |
| H75 | G2 | 4.51 | 1 |
| H76 | B | 4.62 | 1 |
| H73 | A | 5.05 | 1 |
| H71 | CB | 6.34 | 1 |
| H64 | B2 | 6.09 | 1 |
| H65 | B6 | 6.09 | 1 |
| H72 | A2 | 6.82 | 1 |
| H73 | A6 | 6.82 | 1 |
| H63 | B1 | 7.03 | 1 |
| H69 | C3 | 7.17 | 1 |
| H70 | C5 | 7.17 | 1 |
| H68 | CA | 7.44 | 1 |
| H66 | C2 | 7.66 | 1 |
| H67 | C6 | 7.66 | 1 |