Pinoresinol Diacetate (C24 H26 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 442.45844
This is of the category: b-b Dimers
Concentration: Saturated (Source: John Pew)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.62 | 1 |
| C2 | AcMe | 20.62 | 1 |
| C17 | B | 54.36 | 1 |
| C18 | B | 54.36 | 1 |
| C3 | OMe | 55.92 | 1 |
| C4 | OMe | 55.92 | 1 |
| C11 | G | 71.95 | 1 |
| C12 | G | 71.95 | 1 |
| C23 | A | 85.50 | 1 |
| C24 | A | 85.50 | 1 |
| C9 | 2 | 109.91 | 1 |
| C10 | 2 | 109.91 | 1 |
| C5 | 6 | 117.92 | 1 |
| C6 | 6 | 117.92 | 1 |
| C7 | 5 | 122.74 | 1 |
| C8 | 5 | 122.74 | 1 |
| C19 | 4 | 139.13 | 1 |
| C20 | 4 | 139.13 | 1 |
| C15 | 1 | 140.11 | 1 |
| C16 | 1 | 140.11 | 1 |
| C21 | 3 | 151.23 | 1 |
| C22 | 3 | 151.23 | 1 |
| C13 | AcC=O | 168.99 | 1 |
| C14 | AcC=O | 168.99 | 1 |
| H35 | AcMe | 2.30 | 1 |
| H33 | AcMe | 2.30 | 1 |
| H34 | AcMe | 2.30 | 1 |
| H36 | AcMe | 2.30 | 1 |
| H38 | AcMe | 2.30 | 1 |
| H37 | AcMe | 2.30 | 1 |
| H39 | OMe | 3.83 | 1 |
| H40 | OMe | 3.83 | 1 |
| H41 | OMe | 3.83 | 1 |
| H44 | OMe | 3.83 | 1 |
| H43 | OMe | 3.83 | 1 |
| H42 | OMe | 3.83 | 1 |
| H55 | B | 3.08 | 1 |
| H56 | B | 3.08 | 1 |
| H51 | G1 | 3.92 | 1 |
| H53 | G1 | 3.92 | 1 |
| H52 | G2 | 4.27 | 1 |
| H54 | G2 | 4.27 | 1 |
| H57 | A | 4.78 | 1 |
| H58 | A | 4.78 | 1 |
| H45 | 6 | 6.88 | 1 |
| H46 | 6 | 6.88 | 1 |
| H49 | 2 | 6.99 | 1 |
| H50 | 2 | 6.99 | 1 |
| H47 | 5 | 7.00 | 1 |
| H48 | 5 | 7.00 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.48 | 1 |
| C2 | AcMe | 20.48 | 1 |
| C17 | B | 55.42 | 1 |
| C18 | B | 55.42 | 1 |
| C3 | OMe | 56.23 | 1 |
| C4 | OMe | 56.23 | 1 |
| C11 | G | 72.58 | 1 |
| C12 | G | 72.58 | 1 |
| C23 | A | 86.22 | 1 |
| C24 | A | 86.22 | 1 |
| C9 | 2 | 111.12 | 1 |
| C10 | 2 | 111.12 | 1 |
| C5 | 6 | 118.63 | 1 |
| C6 | 6 | 118.63 | 1 |
| C7 | 5 | 123.46 | 1 |
| C8 | 5 | 123.46 | 1 |
| C19 | 4 | 140.15 | 1 |
| C20 | 4 | 140.15 | 1 |
| C15 | 1 | 141.80 | 1 |
| C16 | 1 | 141.80 | 1 |
| C21 | 3 | 152.28 | 1 |
| C22 | 3 | 152.28 | 1 |
| C13 | AcC=O | 168.98 | 1 |
| C14 | AcC=O | 168.98 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.28 | 1 |
| C2 | AcMe | 20.28 | 1 |
| C17 | B | 53.75 | 1 |
| C18 | B | 53.75 | 1 |
| C3 | OMe | 55.67 | 1 |
| C4 | OMe | 55.67 | 1 |
| C11 | G | 71.24 | 1 |
| C12 | G | 71.24 | 1 |
| C23 | A | 84.64 | 1 |
| C24 | A | 84.64 | 1 |
| C9 | 2 | 110.33 | 1 |
| C10 | 2 | 110.33 | 1 |
| C5 | 6 | 117.78 | 1 |
| C6 | 6 | 117.78 | 1 |
| C7 | 5 | 122.50 | 1 |
| C8 | 5 | 122.50 | 1 |
| C19 | 4 | 138.42 | 1 |
| C20 | 4 | 138.42 | 1 |
| C15 | 1 | 140.41 | 1 |
| C16 | 1 | 140.41 | 1 |
| C21 | 3 | 150.70 | 1 |
| C22 | 3 | 150.70 | 1 |
| C13 | AcC=O | 168.44 | 1 |
| C14 | AcC=O | 168.44 | 1 |