Isotaxiresinol (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: b-b Dimers
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C4 | A3AcMe | 20.36 | 1 |
| C3 | A4AcMe | 20.45 | 1 |
| C5 | B4AcMe | 20.50 | 1 |
| C1 | AcMe | 20.60 | 4 |
| C2 | AcMe | 20.72 | 4 |
| C9 | BA | 33.50 | 1 |
| C22 | BB | 36.27 | 1 |
| C24 | B | 44.34 | 1 |
| C29 | A | 47.51 | 1 |
| C6 | OMe | 56.18 | 1 |
| C14 | G | 63.57 | 1 |
| C13 | BG | 66.69 | 1 |
| C11 | B2 | 112.97 | 1 |
| C12 | B5 | 124.12 | 1 |
| C8 | A5 | 124.36 | 1 |
| C10 | A2 | 124.92 | 1 |
| C7 | A6 | 127.98 | 1 |
| C23 | B6 | 131.84 | 1 |
| C21 | B1 | 135.41 | 1 |
| C28 | B4 | 139.26 | 1 |
| C25 | A4 | 142.08 | 1 |
| C27 | A3 | 143.41 | 1 |
| C20 | A1 | 144.19 | 1 |
| C26 | B3 | 150.55 | 1 |
| C17 | A4AcC=O | 168.52 | 1 |
| C5 | B4AcC=O | 168.63 | 1 |
| C18 | A3AcC=O | 168.92 | 1 |
| C15 | AcC=O | 171.04 | 4 |
| C16 | AcC=O | 171.05 | 4 |
| H49 | AcMe | 2.00 | 4 |
| H48 | AcMe | 2.00 | 4 |
| H47 | AcMe | 2.00 | 4 |
| H50 | AcMe | 2.01 | 4 |
| H51 | AcMe | 2.01 | 4 |
| H52 | AcMe | 2.01 | 4 |
| H53 | AcMe | 2.10 | 4 |
| H54 | AcMe | 2.10 | 4 |
| H55 | AcMe | 2.10 | 4 |
| H71 | B | 2.14 | 1 |
| H41 | AcMe | 2.22 | 4 |
| H43 | AcMe | 2.22 | 4 |
| H42 | AcMe | 2.22 | 4 |
| H44 | AcMe | 2.24 | 4 |
| H46 | AcMe | 2.24 | 4 |
| H45 | AcMe | 2.24 | 4 |
| H70 | BB | 2.26 | 1 |
| H61 | BA | 2.90 | 2 |
| H62 | BA | 2.90 | 2 |
| H57 | A3OMe | 3.78 | 1 |
| H56 | A3OMe | 3.78 | 1 |
| H58 | A3OMe | 3.78 | 1 |
| H68 | G1 | 3.90 | 1 |
| H72 | A | 4.06 | 1 |
| H66 | BG1 | 4.11 | 1 |
| H69 | G2 | 4.12 | 1 |
| H67 | BG2 | 4.22 | 1 |
| H65 | B5 | 6.34 | 1 |
| H64 | B2 | 6.88 | 1 |
| H63 | A2 | 7.04 | 1 |
| H59 | A6 | 7.10 | 1 |
| H60 | A5 | 7.14 | 1 |