Lignin_cw_compound_3058 (C30 H26 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 530.52204
This is of the category: Trimers Containing Ferulic or Coumaric Acid
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AOMe | 55.93 | 1 |
| C3 | BOMe | 56.14 | 1 |
| C2 | COMe | 56.50 | 1 |
| C15 | C2 | 112.55 | 1 |
| C16 | A2 | 113.95 | 1 |
| C17 | B2 | 114.87 | 1 |
| C11 | B5 | 115.18 | 1 |
| C10 | C5 | 115.42 | 1 |
| C9 | A5 | 116.26 | 1 |
| C7 | C6 | 123.59 | 1 |
| C21 | A1 | 125.21 | 1 |
| C8 | B6 | 125.59 | 1 |
| C6 | A6 | 126.78 | 1 |
| C22 | B1 | 128.03 | 1 |
| C4 | CB | 128.38 | 1 |
| C20 | C1 | 130.35 | 1 |
| C14 | BA | 137.15 | 1 |
| C13 | AA | 138.31 | 1 |
| C23 | AB | 147.52 | 1 |
| C28 | A3 | 148.46 | 1 |
| C27 | B4 | 148.47 | 1 |
| C24 | BB | 148.51 | 1 |
| C29 | C4 | 148.72 | 1 |
| C30 | B3 | 149.91 | 1 |
| C29 | C3 | 150.35 | 1 |
| C25 | A4 | 150.58 | 1 |
| C5 | CA | 153.13 | 1 |
| C18 | AG | 187.43 | 1 |
| C19 | BG | 187.65 | 1 |
| C12 | CG | 193.91 | 1 |
| H40 | AOMe | 3.69 | 1 |
| H41 | AOMe | 3.69 | 1 |
| H42 | AOMe | 3.69 | 1 |
| H46 | BOMe | 3.83 | 1 |
| H47 | BOMe | 3.83 | 1 |
| H48 | BOMe | 3.83 | 1 |
| H43 | COMe | 3.98 | 1 |
| H44 | COMe | 3.98 | 1 |
| H45 | COMe | 3.98 | 1 |
| H49 | CB | 6.70 | 1 |
| H56 | B5 | 6.79 | 1 |
| H55 | C5 | 6.82 | 1 |
| H54 | A5 | 6.85 | 1 |
| H52 | C6 | 7.15 | 1 |
| H53 | B6 | 7.28 | 1 |
| H51 | A6 | 7.30 | 1 |
| H58 | AA | 7.30 | 1 |
| H59 | BA | 7.33 | 1 |
| H60 | C2 | 7.48 | 1 |
| H61 | A2 | 7.52 | 1 |
| H50 | CA | 7.58 | 1 |
| H62 | B2 | 7.67 | 1 |
| H34 | AOH | 8.37 | 1 |
| H63 | AG | 9.48 | 1 |
| H64 | BG | 9.53 | 1 |
| H57 | CG | 9.65 | 1 |