Lignin_cw_compound_2064 (C20 H24 O6)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 360.40096
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 |
| C3 | B | 30.41 | 1 |
| C4 | A | 32.26 | 1 |
| C10 | BB | 36.17 | 1 |
| C1 | OMe | 56.27 | 1 |
| C2 | OMe | 56.27 | 1 |
| C11 | G | 63.82 | 1 |
| C12 | A2 | 105.03 | 1 |
| C13 | A6 | 105.03 | 1 |
| C8 | B3 | 115.32 | 1 |
| C9 | B5 | 115.32 | 1 |
| C5 | B2 | 129.34 | 1 |
| C6 | B6 | 129.34 | 1 |
| C14 | B1 | 132.28 | 1 |
| C15 | A1 | 132.36 | 1 |
| C20 | A4 | 132.93 | 1 |
| C17 | A3 | 146.93 | 1 |
| C18 | A5 | 146.93 | 1 |
| C16 | B4 | 154.19 | 1 |
| C19 | BG | 173.21 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C7 | BA | 30.77 | 1 |
| C3 | B | 31.31 | 1 |
| C4 | A | 32.71 | 1 |
| C10 | BB | 36.71 | 1 |
| C1 | OMe | 56.57 | 1 |
| C2 | OMe | 56.57 | 1 |
| C11 | G | 64.04 | 1 |
| C12 | A2 | 106.69 | 1 |
| C13 | A6 | 106.69 | 1 |
| C8 | B3 | 116.01 | 1 |
| C9 | B5 | 116.01 | 1 |
| C5 | B2 | 130.07 | 1 |
| C6 | B6 | 130.07 | 1 |
| C14 | B1 | 132.40 | 1 |
| C15 | A1 | 132.59 | 1 |
| C20 | A4 | 135.07 | 1 |
| C17 | A3 | 148.62 | 1 |
| C18 | A5 | 148.62 | 1 |
| C16 | B4 | 156.61 | 1 |
| C19 | BG | 173.08 | 1 |
| H33 | B | 1.87 | 1 |
| H34 | B | 1.87 | 1 |
| H35 | A | 2.55 | 1 |
| H36 | A | 2.55 | 1 |
| H43 | BB | 2.56 | 1 |
| H44 | BB | 2.56 | 1 |
| H39 | BA | 2.82 | 1 |
| H40 | BA | 2.82 | 1 |
| H27 | OMe | 3.79 | 1 |
| H28 | OMe | 3.79 | 1 |
| H29 | OMe | 3.79 | 1 |
| H32 | OMe | 3.79 | 1 |
| H31 | OMe | 3.79 | 1 |
| H30 | OMe | 3.79 | 1 |
| H45 | G | 4.03 | 1 |
| H46 | G | 4.03 | 1 |
| H47 | A2 | 6.48 | 1 |
| H48 | A6 | 6.48 | 1 |
| H41 | B3 | 6.74 | 1 |
| H42 | B5 | 6.74 | 1 |
| H50 | A4OH | 6.89 | 1 |
| H37 | B2 | 7.06 | 1 |
| H38 | B6 | 7.06 | 1 |
| H49 | B4OH | 8.08 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C7 | BA | 29.49 | 1 |
| C3 | B | 29.90 | 1 |
| C4 | A | 31.41 | 1 |
| C10 | BB | 35.46 | 1 |
| C1 | OMe | 55.87 | 1 |
| C2 | OMe | 55.87 | 1 |
| C11 | G | 63.15 | 1 |
| C12 | A2 | 105.63 | 1 |
| C13 | A6 | 105.63 | 1 |
| C8 | B3 | 115.02 | 1 |
| C9 | B5 | 115.02 | 1 |
| C5 | B2 | 129.03 | 1 |
| C6 | B6 | 129.03 | 1 |
| C14 | B1 | 130.50 | 1 |
| C15 | A1 | 131.04 | 1 |
| C20 | A4 | 133.55 | 1 |
| C17 | A3 | 147.85 | 1 |
| C18 | A5 | 147.85 | 1 |
| C16 | B4 | 155.55 | 1 |
| C19 | BG | 172.32 | 1 |