Seco-isolariciresinol (C28 H34 O10)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 530.56356
This is of the category: b-b Dimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C3 | 4AcMe | 20.47 | 1 |
| C4 | 4AcMe | 20.47 | 1 |
| C1 | GAcMe | 20.83 | 1 |
| C2 | GAcMe | 20.83 | 1 |
| C11 | A | 35.51 | 1 |
| C12 | A | 35.51 | 1 |
| C23 | B | 40.81 | 1 |
| C24 | B | 40.81 | 1 |
| C15 | G | 64.67 | 1 |
| C16 | G | 64.67 | 1 |
| C13 | 2 | 114.00 | 1 |
| C14 | 2 | 114.00 | 1 |
| C7 | 6 | 121.67 | 1 |
| C8 | 6 | 121.67 | 1 |
| C9 | 5 | 123.32 | 1 |
| C10 | 5 | 123.32 | 1 |
| C25 | 4 | 139.14 | 1 |
| C26 | 4 | 139.14 | 1 |
| C21 | 1 | 140.00 | 1 |
| C22 | 1 | 140.00 | 1 |
| C27 | 3 | 152.01 | 1 |
| C28 | 3 | 152.01 | 1 |
| C19 | 4AcC=O | 169.04 | 1 |
| C20 | 4AcC=O | 169.04 | 1 |
| C17 | GAcC=O | 171.04 | 1 |
| C18 | GAcC=O | 171.04 | 1 |
| H40 | GAcMe | 2.00 | 1 |
| H41 | GAcMe | 2.00 | 1 |
| H39 | GAcMe | 2.00 | 1 |
| H44 | GAcMe | 2.00 | 1 |
| H42 | GAcMe | 2.00 | 1 |
| H43 | GAcMe | 2.00 | 1 |
| H46 | 4AcMe | 2.21 | 1 |
| H45 | 4AcMe | 2.21 | 1 |
| H47 | 4AcMe | 2.21 | 1 |
| H49 | 4AcMe | 2.21 | 1 |
| H48 | 4AcMe | 2.21 | 1 |
| H50 | 4AcMe | 2.21 | 1 |
| H71 | B | 2.22 | 1 |
| H72 | B | 2.22 | 1 |
| H61 | A1 | 2.70 | 1 |
| H63 | A1 | 2.70 | 1 |
| H62 | A2 | 2.83 | 1 |
| H64 | A2 | 2.83 | 1 |
| H52 | A3OMe | 3.74 | 1 |
| H53 | A3OMe | 3.74 | 1 |
| H51 | A3OMe | 3.74 | 1 |
| H54 | A3OMe | 3.74 | 1 |
| H55 | A3OMe | 3.74 | 1 |
| H56 | A3OMe | 3.74 | 1 |
| H67 | G1 | 4.03 | 1 |
| H69 | G1 | 4.03 | 1 |
| H68 | G2 | 4.25 | 1 |
| H70 | G2 | 4.25 | 1 |
| H57 | A6 | 6.70 | 1 |
| H58 | A6 | 6.70 | 1 |
| H65 | A2 | 6.87 | 1 |
| H66 | A2 | 6.87 | 1 |
| H59 | A5 | 6.92 | 1 |
| H60 | A5 | 6.92 | 1 |