Buddlenol E (C31 H36 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 584.61094
This is of the category: Trimers
Concentration: Saturated (Source: Hoon Kim and Kris Moreel)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C19 | CB | 55.15 | 1 |
| C20 | BB | 55.46 | 1 |
| C1 | OMe | 56.24 | 4 |
| C3 | BOMe | 56.59 | 1 |
| C4 | BOMe | 56.59 | 1 |
| C2 | OMe | 56.70 | 4 |
| C13 | AG | 60.98 | 1 |
| C14 | CG | 72.30 | 1 |
| C15 | BG | 72.54 | 1 |
| C28 | AA | 73.38 | 1 |
| C30 | BA | 86.57 | 1 |
| C29 | CA | 86.60 | 1 |
| C27 | AB | 87.86 | 1 |
| C11 | B2 | 104.12 | 1 |
| C12 | B6 | 104.12 | 1 |
| C10 | C2 | 110.62 | 1 |
| C9 | A2 | 110.92 | 1 |
| C7 | A5 | 115.20 | 1 |
| C8 | C5 | 115.54 | 1 |
| C6 | C6 | 119.60 | 1 |
| C5 | A6 | 120.04 | 1 |
| C17 | C1 | 133.77 | 1 |
| C18 | B1 | 133.80 | 1 |
| C16 | A1 | 134.10 | 1 |
| C22 | C4 | 135.72 | 1 |
| C31 | B4 | 139.10 | 1 |
| C23 | A3 | 146.47 | 1 |
| C24 | C3 | 146.90 | 1 |
| C21 | A4 | 147.98 | 1 |
| C25 | B3 | 154.20 | 1 |
| C26 | B5 | 154.20 | 1 |
| H69 | CB | 3.10 | 1 |
| H70 | BB | 3.10 | 1 |
| H63 | AG1 | 3.43 | 1 |
| H64 | AG2 | 3.84 | 1 |
| H66 | CG2 | 3.86 | 1 |
| H68 | BG2 | 3.86 | 1 |
| H71 | AB | 4.15 | 1 |
| H65 | CG1 | 4.24 | 1 |
| H67 | BG1 | 4.24 | 1 |
| H73 | CA | 4.68 | 1 |
| H74 | BA | 4.73 | 1 |
| H72 | AA | 4.97 | 1 |
| H61 | B2 | 6.76 | 1 |
| H62 | B6 | 6.76 | 1 |
| H60 | C2 | 6.98 | 1 |
| H59 | A2 | 7.03 | 1 |
| H76 | A4-OH | 7.37 | 1 |
| H77 | C4-OH | 7.49 | 1 |