Lignin_cw_compound_3024 (C34 H36 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 620.64304
This is of the category: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | GAcMe | 20.61 | 1 |
| C6 | BGOMe | 51.54 | 1 |
| C5 | CGOMe | 51.58 | 1 |
| C2 | A4OMe | 55.99 | 1 |
| C4 | A3OMe | 56.09 | 1 |
| C3 | B3OMe | 56.35 | 1 |
| C21 | G | 63.49 | 1 |
| C34 | A | 79.62 | 1 |
| C31 | B | 81.21 | 1 |
| C20 | A2 | 112.24 | 1 |
| C15 | B5 | 112.38 | 1 |
| C19 | B2 | 112.38 | 1 |
| C17 | CB | 116.42 | 1 |
| C18 | BB | 116.98 | 1 |
| C7 | C2 | 117.28 | 1 |
| C8 | C6 | 117.28 | 1 |
| C15 | B5 | 118.21 | 1 |
| C12 | A6 | 120.82 | 1 |
| C9 | B6 | 122.93 | 1 |
| C23 | C1 | 128.46 | 1 |
| C24 | B1 | 129.89 | 1 |
| C25 | A1 | 130.14 | 1 |
| C13 | C3 | 130.52 | 1 |
| C14 | C5 | 130.52 | 1 |
| C10 | CA | 144.85 | 1 |
| C11 | BA | 145.14 | 1 |
| C27 | A4 | 150.33 | 1 |
| C30 | A3 | 150.37 | 1 |
| C28 | B4 | 150.72 | 1 |
| C29 | B3 | 151.80 | 1 |
| C26 | C4 | 160.44 | 1 |
| C32 | CG | 167.67 | 1 |
| C33 | BG | 167.67 | 1 |
| C22 | GOAcC=O | 170.79 | 1 |
| H48 | GAcMe | 1.920 | 1 |
| H46 | GAcMe | 1.920 | 1 |
| H47 | GAcMe | 1.920 | 1 |
| H61 | BGOMe | 3.695 | 1 |
| H62 | BGOMe | 3.695 | 1 |
| H63 | BGOMe | 3.695 | 1 |
| H59 | CGOMe | 3.716 | 1 |
| H58 | CGOMe | 3.716 | 1 |
| H60 | CGOMe | 3.716 | 1 |
| H55 | A3OMe | 3.745 | 1 |
| H57 | A3OMe | 3.745 | 1 |
| H56 | A3OMe | 3.745 | 1 |
| H51 | A4OMe | 3.775 | 1 |
| H49 | A4OMe | 3.775 | 1 |
| H50 | A4OMe | 3.775 | 1 |
| H53 | B3OMe | 3.877 | 1 |
| H52 | B3OMe | 3.877 | 1 |
| H54 | B3OMe | 3.877 | 1 |
| H78 | G1 | 4.428 | 1 |
| H79 | G2 | 4.487 | 1 |
| H80 | B | 4.988 | 1 |
| H81 | A | 5.659 | 1 |
| H74 | CB | 6.345 | 1 |
| H75 | BB | 6.431 | 1 |
| H73 | A5 | 6.888 | 1 |
| H64 | C2 | 6.995 | 1 |
| H65 | C6 | 6.995 | 1 |
| H72 | B5 | 7.051 | 1 |
| H69 | A6 | 7.066 | 1 |
| H66 | B6 | 7.143 | 1 |
| H77 | A2 | 7.190 | 1 |
| H76 | B2 | 7.323 | 1 |
| H70 | C3 | 7.527 | 1 |
| H71 | C5 | 7.527 | 1 |
| H67 | CA | 7.553 | 1 |
| H68 | BA | 7.576 | 1 |