Lignin_cw_compound_133 (C18 H22 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 334.36368
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 | BB | 25.08 | 1 |
| C2 | OMe | 56.00 | 1 |
| C10 | G | 61.24 | 1 |
| C11 | BA | 69.86 | 1 |
| C18 | A | 73.94 | 1 |
| C17 | B | 83.28 | 1 |
| C9 | A2 | 109.42 | 1 |
| C8 | A5 | 114.38 | 1 |
| C6 | B3 | 116.47 | 1 |
| C7 | B5 | 116.47 | 1 |
| C5 | A6 | 119.99 | 1 |
| C3 | B2 | 126.88 | 1 |
| C4 | B6 | 126.88 | 1 |
| C13 | A1 | 131.60 | 1 |
| C12 | B1 | 139.39 | 1 |
| C15 | A4 | 145.68 | 1 |
| C16 | A3 | 146.72 | 1 |
| C14 | B4 | 157.50 | 1 |
| H25 | BB | 1.47 | 1 |
| H26 | BB | 1.47 | 1 |
| H27 | BB | 1.47 | 1 |
| H28 | OMe | 3.87 | 1 |
| H29 | OMe | 3.87 | 1 |
| H30 | OMe | 3.87 | 1 |
| H41 | B | 4.37 | 1 |
| H11 | BA | 4.85 | 1 |
| H18 | A | 4.96 | 1 |
| C10 | G | 61.54 | 1 |
| C18 | A | 74.04 | 1 |
| C17 | B | 82.09 | 1 |
| C6 | B3 | 116.54 | 1 |
| C7 | B5 | 116.54 | 1 |
| C5 | A6 | 119.33 | 1 |
| C3 | B2 | 126.78 | 1 |
| C4 | B6 | 126.78 | 1 |
| C13 | A1 | 132.35 | 1 |
| C14 | B4 | 157.06 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 26.07 | 1 |
| C2 | OMe | 56.22 | 1 |
| C10 | G | 61.69 | 1 |
| C11 | BA | 69.52 | 1 |
| C18 | A | 73.38 | 1 |
| C17 | B | 84.16 | 1 |
| C9 | A2 | 111.37 | 1 |
| C8 | A5 | 115.19 | 1 |
| C6 | B3 | 116.69 | 1 |
| C7 | B5 | 116.69 | 1 |
| C5 | A6 | 120.34 | 1 |
| C3 | B2 | 127.14 | 1 |
| C4 | B6 | 127.14 | 1 |
| C13 | A1 | 134.18 | 1 |
| C12 | B1 | 140.38 | 1 |
| C15 | A4 | 146.63 | 1 |
| C16 | A3 | 147.92 | 1 |
| C14 | B4 | 158.92 | 1 |
| C10 | G | 62.04 | 1 |
| C18 | A | 73.99 | 1 |
| C17 | B | 83.75 | 1 |
| C6 | B3 | 116.81 | 1 |
| C7 | B5 | 116.81 | 1 |
| C5 | A6 | 120.47 | 1 |
| C3 | B2 | 127.10 | 1 |
| C4 | B6 | 127.10 | 1 |
| C13 | A1 | 134.44 | 1 |
| C14 | B4 | 158.55 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BB | 25.78 | 1 |
| C2 | OMe | 55.45 | 1 |
| C10 | G | 60.00 | 1 |
| C11 | BA | 67.60 | 1 |
| C18 | A | 70.95 | 1 |
| C17 | B | 83.14 | 1 |
| C9 | A2 | 110.90 | 1 |
| C8 | A5 | 114.68 | 1 |
| C6 | B3 | 115.39 | 1 |
| C7 | B5 | 115.39 | 1 |
| C5 | A6 | 118.96 | 1 |
| C3 | B2 | 126.14 | 1 |
| C4 | B6 | 126.14 | 1 |
| C13 | A1 | 133.19 | 1 |
| C12 | B1 | 139.20 | 1 |
| C15 | A4 | 145.33 | 1 |
| C16 | A3 | 146.93 | 1 |
| C14 | B4 | 157.71 | 1 |
| C10 | G | 60.11 | 1 |
| C18 | A | 71.50 | 1 |
| C17 | B | 83.14 | 1 |
| C6 | B3 | 115.54 | 1 |
| C7 | B5 | 115.54 | 1 |
| C5 | A6 | 119.37 | 1 |
| C3 | B2 | 126.07 | 1 |
| C4 | B6 | 126.07 | 1 |
| C13 | A1 | 133.32 | 1 |
| C14 | B4 | 157.41 | 1 |