Lignin_cw_compound_3020 (C31 H32 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 548.58038
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 |
|---|---|---|---|
| C4 | CGOMe | 51.52 | 1 |
| C3 | BGOMe | 51.52 | 1 |
| C1 | A4OMe | 55.97 | 1 |
| C2 | A3OMe | 56.12 | 1 |
| C20 | G | 61.38 | 1 |
| C31 | A | 79.21 | 1 |
| C28 | B | 82.64 | 1 |
| C19 | A2 | 112.38 | 1 |
| C16 | A5 | 112.47 | 1 |
| C17 | BB | 116.21 | 1 |
| C18 | CB | 116.33 | 1 |
| C7 | C2 | 117.26 | 1 |
| C8 | C6 | 117.26 | 1 |
| C5 | B2 | 117.38 | 1 |
| C6 | B6 | 117.38 | 1 |
| C11 | A6 | 121.02 | 1 |
| C22 | C1 | 128.26 | 1 |
| C21 | B1 | 128.32 | 1 |
| C12 | B3 | 130.51 | 1 |
| C13 | B5 | 130.51 | 1 |
| C14 | C3 | 130.52 | 1 |
| C15 | C5 | 130.52 | 1 |
| C23 | A1 | 130.56 | 1 |
| C10 | CA | 144.87 | 1 |
| C9 | BA | 144.96 | 1 |
| C26 | A4 | 150.25 | 1 |
| C27 | A3 | 150.26 | 1 |
| C25 | C4 | 160.50 | 1 |
| C24 | B4 | 161.69 | 1 |
| C30 | CG | 167.66 | 1 |
| C29 | BG | 167.72 | 1 |
| H49 | BGOMe | 3.693 | 1 |
| H47 | BGOMe | 3.693 | 1 |
| H48 | BGOMe | 3.693 | 1 |
| H51 | CGOMe | 3.711 | 1 |
| H52 | CGOMe | 3.711 | 1 |
| H50 | CGOMe | 3.711 | 1 |
| H43 | A4OMe | 3.732 | 1 |
| H42 | A4OMe | 3.732 | 1 |
| H41 | A4OMe | 3.732 | 1 |
| H46 | A3OMe | 3.752 | 1 |
| H44 | A3OMe | 3.752 | 1 |
| H45 | A3OMe | 3.752 | 1 |
| H68 | G | 3.954 | 1 |
| H69 | G | 3.954 | 1 |
| H72 | GOH | 4.157 | 1 |
| H70 | B | 4.881 | 1 |
| H71 | A | 5.603 | 1 |
| H66 | CB | 6.335 | 1 |
| H65 | BB | 6.363 | 1 |
| H64 | A5 | 6.876 | 1 |
| H55 | C2 | 6.973 | 1 |
| H56 | C6 | 6.973 | 1 |
| H53 | B2 | 7.015 | 1 |
| H54 | B6 | 7.015 | 1 |
| H59 | A6 | 7.047 | 1 |
| H67 | A2 | 7.126 | 1 |
| H62 | C3 | 7.515 | 1 |
| H63 | C5 | 7.515 | 1 |
| H60 | B3 | 7.550 | 1 |
| H61 | B5 | 7.550 | 1 |
| H58 | CA | 7.543 | 1 |
| H57 | BA | 7.582 | 1 |