Lignin_cw_compound_2063 (C19 H22 O5)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 330.37498
This is of the category: Misc. Compounds
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C7 | BA | 30.11 | 1 |
| C2 | B | 30.40 | 1 |
| C3 | A | 31.75 | 1 |
| C11 | BB | 36.17 | 1 |
| C1 | OMe | 55.87 | 1 |
| C12 | G | 63.85 | 1 |
| C13 | A2 | 110.96 | 1 |
| C10 | A5 | 114.28 | 1 |
| C8 | B3 | 115.31 | 1 |
| C9 | B5 | 115.31 | 1 |
| C6 | A6 | 120.93 | 1 |
| C32 | B2 | 129.37 | 1 |
| C33 | B6 | 129.37 | 1 |
| C14 | B1 | 132.46 | 1 |
| C15 | A1 | 133.09 | 1 |
| C17 | A4 | 143.76 | 1 |
| C18 | A3 | 146.40 | 1 |
| C16 | B4 | 154.13 | 1 |
| C19 | BG | 173.26 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C7 | BA | 30.75 | 1 |
| C2 | B | 31.33 | 1 |
| C3 | A | 32.24 | 1 |
| C11 | BB | 36.69 | 1 |
| C1 | OMe | 56.16 | 1 |
| C12 | G | 64.03 | 1 |
| C13 | A2 | 112.73 | 1 |
| C10 | A5 | 115.62 | 1 |
| C8 | B3 | 116.00 | 1 |
| C9 | B5 | 116.00 | 1 |
| C6 | A6 | 121.55 | 1 |
| C32 | B2 | 130.05 | 1 |
| C33 | B6 | 130.05 | 1 |
| C14 | B1 | 132.38 | 1 |
| C15 | A1 | 133.55 | 1 |
| C17 | A4 | 146.58 | 1 |
| C18 | A3 | 148.16 | 1 |
| C16 | B4 | 156.57 | 1 |
| C19 | BG | 173.09 | 1 |
| H28 | B | 1.86 | 1 |
| H29 | B | 1.86 | 1 |
| H30 | A | 2.55 | 1 |
| H31 | A | 2.55 | 1 |
| H40 | BB | 2.56 | 1 |
| H41 | BB | 2.56 | 1 |
| H35 | BA | 2.82 | 1 |
| H36 | BA | 2.82 | 1 |
| H25 | OMe | 3.80 | 1 |
| H26 | OMe | 3.80 | 1 |
| H27 | OMe | 3.80 | 1 |
| H42 | G | 4.03 | 1 |
| H43 | G | 4.03 | 1 |
| H34 | A6 | 6.61 | 1 |
| H39 | A5 | 6.73 | 1 |
| H37 | B3 | 6.75 | 1 |
| H38 | B5 | 6.75 | 1 |
| H44 | A2 | 6.79 | 1 |
| H32 | B2 | 7.06 | 1 |
| H33 | B6 | 7.06 | 1 |
| H20 | ArOH | 7.86 | 4 |
| H21 | ArOH | 8.10 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C7 | BA | 29.49 | 1 |
| C2 | B | 29.95 | 1 |
| C3 | A | 30.91 | 1 |
| C11 | BB | 35.47 | 1 |
| C1 | OMe | 55.48 | 1 |
| C12 | G | 63.13 | 1 |
| C13 | A2 | 112.43 | 1 |
| C10 | A5 | 115.28 | 1 |
| C8 | B3 | 115.03 | 1 |
| C9 | B5 | 115.03 | 1 |
| C6 | A6 | 120.30 | 1 |
| C32 | B2 | 129.04 | 1 |
| C33 | B6 | 129.04 | 1 |
| C14 | B1 | 130.50 | 1 |
| C15 | A1 | 131.83 | 1 |
| C17 | A4 | 144.53 | 1 |
| C18 | A3 | 147.38 | 1 |
| C16 | B4 | 155.55 | 1 |
| C19 | BG | 172.32 | 1 |