Pinoresinol (C20 H22 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 358.38508
This is of the category: b-b Dimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C13 | B | 54.15 | 1 |
| C14 | B | 54.15 | 1 |
| C1 | OMe | 55.94 | 1 |
| C2 | OMe | 55.94 | 1 |
| C9 | G | 71.66 | 1 |
| C10 | G | 71.66 | 1 |
| C19 | A | 85.86 | 1 |
| C20 | A | 85.86 | 1 |
| C7 | 2 | 108.60 | 1 |
| C8 | 2 | 108.60 | 1 |
| C5 | 5 | 114.27 | 1 |
| C6 | 5 | 114.27 | 1 |
| C3 | 6 | 118.95 | 1 |
| C4 | 6 | 118.95 | 1 |
| C11 | 1 | 132.91 | 1 |
| C12 | 1 | 132.91 | 1 |
| C15 | 4 | 145.24 | 1 |
| C16 | 4 | 145.24 | 1 |
| C17 | 3 | 146.70 | 1 |
| C18 | 3 | 146.70 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C13 | B | 55.23 | 1 |
| C14 | B | 55.23 | 1 |
| C1 | OMe | 56.24 | 1 |
| C2 | OMe | 56.24 | 1 |
| C9 | G | 72.20 | 1 |
| C10 | G | 72.20 | 1 |
| C19 | A | 86.62 | 1 |
| C20 | A | 86.62 | 1 |
| C7 | 2 | 110.60 | 1 |
| C8 | 2 | 110.60 | 1 |
| C5 | 5 | 115.52 | 1 |
| C6 | 5 | 115.52 | 1 |
| C3 | 6 | 119.59 | 1 |
| C4 | 6 | 119.59 | 1 |
| C11 | 1 | 134.17 | 1 |
| C12 | 1 | 134.17 | 1 |
| C15 | 4 | 146.86 | 1 |
| C16 | 4 | 146.86 | 1 |
| C17 | 3 | 148.32 | 1 |
| C18 | 3 | 148.32 | 1 |
| H43 | B | 3.08 | 1 |
| H44 | B | 3.08 | 1 |
| H39 | G1 | 3.80 | 1 |
| H41 | G1 | 3.80 | 1 |
| H27 | OMe | 3.83 | 1 |
| H28 | OMe | 3.83 | 1 |
| H29 | OMe | 3.83 | 1 |
| H32 | OMe | 3.83 | 1 |
| H31 | OMe | 3.83 | 1 |
| H30 | OMe | 3.83 | 1 |
| H40 | G2 | 4.19 | 1 |
| H42 | G2 | 4.19 | 1 |
| H45 | A | 4.66 | 1 |
| H46 | A | 4.66 | 1 |
| H35 | A5 | 6.78 | 1 |
| H36 | A5 | 6.78 | 1 |
| H33 | A6 | 6.83 | 1 |
| H34 | A6 | 6.83 | 1 |
| H37 | A2 | 6.98 | 1 |
| H38 | A2 | 6.98 | 1 |
| H47 | ArOH | 7.48 | 1 |
| H48 | ArOH | 7.48 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C13 | B | 53.59 | 1 |
| C14 | B | 53.59 | 1 |
| C1 | OMe | 55.62 | 1 |
| C2 | OMe | 55.62 | 1 |
| C9 | G | 70.91 | 1 |
| C10 | G | 70.91 | 1 |
| C19 | A | 85.17 | 1 |
| C20 | A | 85.17 | 1 |
| C7 | 2 | 110.43 | 1 |
| C8 | 2 | 110.43 | 1 |
| C5 | 5 | 115.15 | 1 |
| C6 | 5 | 115.15 | 1 |
| C3 | 6 | 118.64 | 1 |
| C4 | 6 | 118.64 | 1 |
| C11 | 1 | 132.26 | 1 |
| C12 | 1 | 132.26 | 1 |
| C15 | 4 | 145.91 | 1 |
| C16 | 4 | 145.91 | 1 |
| C17 | 3 | 147.53 | 1 |
| C18 | 3 | 147.53 | 1 |