Lignin_cw_compound_3023 (C32 H34 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 578.60636
This is of the category: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid
Concentration: Saturated (Source: Sally Ralph)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C5 | BGOMe | 51.52 | 1 |
| C5 | CGOMe | 51.55 | 1 |
| C1 | A4OMe | 55.98 | 1 |
| C3 | A3OMe | 56.07 | 1 |
| C2 | B3OMe | 56.37 | 1 |
| C20 | G | 61.29 | 1 |
| C32 | A | 79.37 | 1 |
| C29 | B | 84.19 | 1 |
| C18 | B2 | 112.19 | 1 |
| C14 | B5 | 112.24 | 1 |
| C19 | A2 | 112.70 | 1 |
| C16 | CB | 116.27 | 1 |
| C17 | BB | 116.67 | 1 |
| C6 | C2 | 117.29 | 1 |
| C7 | C6 | 117.29 | 1 |
| C15 | B5 | 117.60 | 1 |
| C11 | A6 | 121.14 | 1 |
| C8 | B6 | 123.10 | 1 |
| C21 | C1 | 128.25 | 1 |
| C22 | B1 | 129.30 | 1 |
| C12 | C3 | 130.49 | 1 |
| C13 | C5 | 130.49 | 1 |
| C23 | A1 | 130.59 | 1 |
| C9 | CA | 144.91 | 1 |
| C10 | BA | 145.25 | 1 |
| C25 | A4 | 150.20 | 1 |
| C28 | A3 | 150.23 | 1 |
| C26 | B4 | 151.31 | 1 |
| C27 | B3 | 151.65 | 1 |
| C24 | C4 | 160.63 | 1 |
| C30 | CG | 167.68 | 1 |
| C31 | BG | 167.71 | 1 |
| H55 | BGOMe | 3.693 | 1 |
| H57 | BGOMe | 3.693 | 1 |
| H56 | BGOMe | 3.693 | 1 |
| H53 | CGOMe | 3.715 | 1 |
| H52 | CGOMe | 3.715 | 1 |
| H54 | CGOMe | 3.715 | 1 |
| H49 | A3OMe | 3.741 | 1 |
| H51 | A3OMe | 3.741 | 1 |
| H50 | A3OMe | 3.741 | 1 |
| H45 | A4OMe | 3.773 | 1 |
| H43 | A4OMe | 3.773 | 1 |
| H44 | A4OMe | 3.773 | 1 |
| H47 | B3OMe | 3.865 | 1 |
| H46 | B3OMe | 3.865 | 1 |
| H48 | B3OMe | 3.865 | 1 |
| H74 | B | 4.787 | 1 |
| H75 | A | 5.640 | 1 |
| H61 | CB | 6.337 | 1 |
| H62 | BB | 6.416 | 1 |
| H67 | A5 | 6.871 | 1 |
| H58 | C2 | 6.981 | 1 |
| H59 | C6 | 6.981 | 1 |
| H63 | A6 | 7.067 | 1 |
| H66 | B5 | 7.068 | 1 |
| H60 | B6 | 7.134 | 1 |
| H71 | A2 | 7.200 | 1 |
| H70 | B2 | 7.302 | 1 |
| H64 | C3 | 7.517 | 1 |
| H65 | C5 | 7.517 | 1 |
| H61 | CA | 7.537 | 1 |
| H62 | BA | 7.573 | 1 |