S-b-S-OH (C20 H26 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 394.41564
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 21.85 | 1 |
| C2 | OMe | 56.02 | 4 |
| C3 | OMe | 56.02 | 4 |
| C4 | OMe | 56.25 | 4 |
| C5 | OMe | 56.25 | 4 |
| C10 | G | 60.37 | 1 |
| C18 | A | 74.33 | 1 |
| C17 | B | 89.04 | 1 |
| C8 | A2 | 104.04 | 1 |
| C9 | A6 | 104.04 | 1 |
| C6 | B2 | 105.99 | 1 |
| C7 | B6 | 105.99 | 1 |
| C12 | A1 | 131.04 | 1 |
| C11 | B1 | 132.90 | 1 |
| C20 | B4 | 134.43 | 1 |
| C19 | A4 | 134.58 | 1 |
| C13 | A3 | 146.99 | 1 |
| C14 | A5 | 146.99 | 1 |
| C15 | B3 | 152.63 | 1 |
| C16 | B5 | 152.63 | 1 |
| C10 | G | 60.50 | 1 |
| C18 | A | 72.50 | 1 |
| C17 | B | 87.03 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 21.78 | 1 |
| C2 | OMe | 56.48 | 4 |
| C3 | OMe | 56.48 | 4 |
| C4 | OMe | 56.56 | 4 |
| C5 | OMe | 56.56 | 4 |
| C10 | G | 61.31 | 1 |
| C18 | A | 74.29 | 1 |
| C17 | B | 89.56 | 1 |
| C8 | A2 | 105.39 | 1 |
| C9 | A6 | 105.39 | 1 |
| C6 | B2 | 107.05 | 1 |
| C7 | B6 | 107.05 | 1 |
| C12 | A1 | 132.54 | 1 |
| C11 | B1 | 134.55 | 1 |
| C20 | B4 | 134.78 | 1 |
| C19 | A4 | 136.00 | 1 |
| C13 | A3 | 148.23 | 1 |
| C14 | A5 | 148.23 | 1 |
| C15 | B3 | 153.52 | 1 |
| C16 | B5 | 153.52 | 1 |
| H30 | BA | 2.29 | 1 |
| H29 | BA | 2.29 | 1 |
| H31 | BA | 2.29 | 1 |
| H32 | OMe | 3.80 | 4 |
| H34 | OMe | 3.80 | 4 |
| H33 | OMe | 3.80 | 4 |
| H35 | OMe | 3.80 | 4 |
| H36 | OMe | 3.80 | 4 |
| H37 | OMe | 3.80 | 4 |
| H38 | OMe | 3.86 | 4 |
| H40 | OMe | 3.86 | 4 |
| H39 | OMe | 3.86 | 4 |
| H42 | OMe | 3.86 | 4 |
| H41 | OMe | 3.86 | 4 |
| H43 | OMe | 3.86 | 4 |
| H51 | A | 4.99 | 1 |
| H46 | A2 | 6.54 | 1 |
| H47 | A6 | 6.54 | 1 |
| H44 | B2 | 6.77 | 1 |
| H45 | B6 | 6.77 | 1 |
| H54 | A4OH | 7.08 | 1 |
| C10 | G | 61.23 | 1 |
| C18 | A | 73.43 | 1 |
| C17 | B | 86.32 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 21.31 | 1 |
| C2 | OMe | 55.88 | 4 |
| C3 | OMe | 55.88 | 4 |
| C4 | OMe | 55.90 | 4 |
| C5 | OMe | 55.90 | 4 |
| C10 | G | 60.18 | 1 |
| C18 | A | 71.59 | 1 |
| C17 | B | 87.18 | 1 |
| C8 | A2 | 104.30 | 1 |
| C9 | A6 | 104.30 | 1 |
| C6 | B2 | 106.34 | 1 |
| C7 | B6 | 106.34 | 1 |
| C12 | A1 | 132.13 | 1 |
| C11 | B1 | 132.88 | 1 |
| C20 | B4 | 133.92 | 1 |
| C19 | A4 | 134.32 | 1 |
| C13 | A3 | 147.37 | 1 |
| C14 | A5 | 147.37 | 1 |
| C15 | B3 | 152.34 | 1 |
| C16 | B5 | 152.34 | 1 |