Lignin_cw_compound_2079 (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 | 20.25 | 4 |
| C2 | AcMe | 21.06 | 4 |
| C5 | AOMe | 56.36 | 1 |
| C6 | AOMe | 56.36 | 1 |
| C3 | BOMe | 56.45 | 1 |
| C4 | BOMe | 56.45 | 1 |
| C18 | G | 64.93 | 1 |
| C30 | A | 74.56 | 1 |
| C28 | B | 85.88 | 1 |
| C16 | A2 | 104.48 | 1 |
| C17 | A6 | 104.48 | 1 |
| C8 | B2 | 106.35 | 1 |
| C9 | B6 | 106.35 | 1 |
| C15 | CB | 118.98 | 1 |
| C13 | C3 | 123.19 | 1 |
| C14 | C5 | 123.19 | 1 |
| C7 | B1 | 124.80 | 1 |
| C32 | A4 | 128.98 | 1 |
| C10 | C2 | 130.17 | 1 |
| C11 | C6 | 130.17 | 1 |
| C21 | C1 | 132.93 | 1 |
| C31 | B4 | 137.65 | 1 |
| C22 | A1 | 140.28 | 1 |
| C12 | CA | 144.26 | 1 |
| C26 | A3 | 152.82 | 1 |
| C27 | A5 | 152.82 | 1 |
| C23 | C4 | 153.43 | 1 |
| C24 | B3 | 154.07 | 1 |
| C25 | B5 | 154.07 | 1 |
| C29 | CG | 166.65 | 1 |
| C19 | AcC=O | 168.54 | 4 |
| C20 | AcC=O | 169.45 | 4 |
| H46 | AcMe | 2.19 | 4 |
| H47 | AcMe | 2.19 | 4 |
| H45 | AcMe | 2.19 | 4 |
| H49 | AcMe | 2.27 | 4 |
| H50 | AcMe | 2.27 | 4 |
| H48 | AcMe | 2.27 | 4 |
| H58 | AOMe | 3.75 | 1 |
| H59 | AOMe | 3.75 | 1 |
| H57 | AOMe | 3.75 | 1 |
| H60 | AOMe | 3.75 | 1 |
| H61 | AOMe | 3.75 | 1 |
| H62 | AOMe | 3.75 | 1 |
| H51 | BOMe | 3.82 | 1 |
| H53 | BOMe | 3.82 | 1 |
| H52 | BOMe | 3.82 | 1 |
| H55 | BOMe | 3.82 | 1 |
| H54 | BOMe | 3.82 | 1 |
| H56 | BOMe | 3.82 | 1 |
| H74 | G1 | 4.16 | 1 |
| H76 | B | 4.38 | 1 |
| H75 | G2 | 4.50 | 1 |
| H77 | A | 5.07 | 1 |
| H71 | CB | 6.47 | 1 |
| H64 | B2 | 6.68 | 1 |
| H65 | B6 | 6.68 | 1 |
| H72 | A2 | 6.87 | 1 |
| H73 | A6 | 6.87 | 1 |
| H63 | B1 | 7.01 | 1 |
| H69 | C3 | 7.19 | 1 |
| H70 | C5 | 7.19 | 1 |
| H68 | CA | 7.63 | 1 |
| H66 | C2 | 7.70 | 1 |
| H67 | C6 | 7.70 | 1 |