SP-(8-8)-S (C29 H32 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 556.55778
This is of the category: More Trimers Containing Ferulic, Coumaric or p-OH-Benzoic Acid
Concentration: Saturated (Source: Fachuang Lu and Kris Moreel)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C19 | BB | 48.37 | 1 |
| C20 | AB | 49.80 | 1 |
| C1 | OMe | 56.50 | 1 |
| C2 | OMe | 56.50 | 1 |
| C3 | OMe | 56.50 | 1 |
| C4 | OMe | 56.50 | 1 |
| C14 | AG | 63.99 | 1 |
| C13 | BG | 69.95 | 1 |
| C25 | BA | 72.59 | 1 |
| C28 | AA | 85.34 | 1 |
| C11 | A2 | 104.45 | 1 |
| C12 | A6 | 104.45 | 1 |
| C9 | B2 | 104.53 | 1 |
| C10 | B6 | 104.53 | 1 |
| C7 | C3 | 115.98 | 1 |
| C8 | C5 | 115.98 | 1 |
| C15 | C1 | 122.40 | 1 |
| C5 | C2 | 132.45 | 1 |
| C6 | C6 | 132.45 | 1 |
| C17 | A1 | 134.49 | 1 |
| C16 | B1 | 134.91 | 1 |
| C27 | A4 | 136.01 | 1 |
| C26 | B4 | 136.01 | 1 |
| C23 | A3 | 148.54 | 1 |
| C24 | A5 | 148.54 | 1 |
| C21 | B3 | 148.54 | 1 |
| C22 | B5 | 148.54 | 1 |
| C18 | C4 | 162.56 | 1 |
| C29 | CA | 166.43 | 1 |
| H66 | AB | 2.55 | 1 |
| H41 | OMe | 3.74 | 4 |
| H42 | OMe | 3.74 | 4 |
| H43 | OMe | 3.74 | 4 |
| H46 | OMe | 3.74 | 4 |
| H45 | OMe | 3.74 | 4 |
| H44 | OMe | 3.74 | 4 |
| H49 | OMe | 3.78 | 4 |
| H48 | OMe | 3.78 | 4 |
| H47 | OMe | 3.78 | 4 |
| H51 | OMe | 3.78 | 4 |
| H50 | OMe | 3.78 | 4 |
| H52 | OMe | 3.78 | 4 |
| H65 | BB | 3.99 | 1 |
| H61 | BG | 4.14 | 1 |
| H62 | BG | 4.14 | 1 |
| H63 | AG1 | 4.41 | 1 |
| H64 | AG2 | 4.68 | 1 |
| H68 | AA | 4.90 | 1 |
| H67 | BA | 4.96 | 1 |
| H59 | A2 | 6.66 | 1 |
| H60 | A6 | 6.66 | 1 |
| H57 | B2 | 6.72 | 1 |
| H58 | B6 | 6.72 | 1 |
| H55 | C3 | 6.87 | 1 |
| H56 | C5 | 6.87 | 1 |
| H53 | C2 | 7.77 | 1 |
| H54 | C6 | 7.77 | 1 |