Lignin_cw_compound_2006 (C24 H26 O8)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 442.45844
This is of the category: b-5 Dimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | ACH3 | 14.24 | 1 |
| C1 | BCH3 | 14.31 | 1 |
| C21 | B | 55.54 | 1 |
| C3 | AOMe | 55.98 | 1 |
| C4 | BOMe | 56.08 | 1 |
| C6 | ACH2 | 61.83 | 1 |
| C5 | BCH2 | 60.37 | 1 |
| C22 | A | 87.46 | 1 |
| C13 | A2 | 108.74 | 1 |
| C12 | B2 | 111.93 | 1 |
| C9 | A5 | 114.49 | 1 |
| C10 | BB | 115.93 | 1 |
| C11 | B6 | 117.86 | 1 |
| C8 | A6 | 119.44 | 1 |
| C16 | B5 | 125.85 | 1 |
| C14 | B1 | 128.61 | 1 |
| C15 | A1 | 131.44 | 1 |
| C7 | BA | 144.50 | 1 |
| C19 | B3 | 144.69 | 1 |
| C18 | A3 | 146.69 | 1 |
| C17 | A4 | 146.03 | 1 |
| C23 | B4 | 149.90 | 1 |
| C20 | BG | 167.18 | 1 |
| C24 | G | 170.20 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | ACH3 | 14.48 | 1 |
| C1 | BCH3 | 14.63 | 1 |
| C21 | B | 56.06 | 1 |
| C3 | AOMe | 56.31 | 1 |
| C4 | BOMe | 56.49 | 1 |
| C6 | ACH2 | 62.20 | 1 |
| C5 | BCH2 | 60.56 | 1 |
| C22 | A | 88.34 | 1 |
| C13 | A2 | 110.74 | 1 |
| C12 | B2 | 113.30 | 1 |
| C9 | A5 | 115.82 | 1 |
| C10 | BB | 116.69 | 1 |
| C11 | B6 | 118.91 | 1 |
| C8 | A6 | 120.18 | 1 |
| C16 | B5 | 127.41 | 1 |
| C14 | B1 | 129.46 | 1 |
| C15 | A1 | 132.10 | 1 |
| C7 | BA | 145.22 | 1 |
| C19 | B3 | 145.82 | 1 |
| C18 | A3 | 148.56 | 1 |
| C17 | A4 | 147.97 | 1 |
| C23 | B4 | 150.99 | 1 |
| C20 | BG | 167.28 | 1 |
| C24 | G | 171.10 | 1 |
| H35 | CH3 | 1.27 | 1 |
| H34 | CH3 | 1.27 | 1 |
| H33 | CH3 | 1.27 | 1 |
| H38 | CH3 | 1.27 | 1 |
| H37 | CH3 | 1.27 | 1 |
| H36 | CH3 | 1.27 | 1 |
| H39 | A3OMe | 3.82 | 1 |
| H40 | A3OMe | 3.82 | 1 |
| H41 | A3OMe | 3.82 | 1 |
| H42 | B3OMe | 3.91 | 1 |
| H43 | B3OMe | 3.91 | 1 |
| H44 | B3OMe | 3.91 | 1 |
| H45 | CH2 | 4.18 | 4 |
| H46 | CH2 | 4.18 | 4 |
| H47 | CH2 | 4.25 | 4 |
| H48 | CH2 | 4.25 | 4 |
| H56 | B | 4.43 | 1 |
| H57 | A | 6.03 | 1 |
| H52 | BB | 6.41 | 1 |
| H51 | A5 | 6.84 | 1 |
| H50 | A6 | 6.91 | 1 |
| H55 | A2 | 7.08 | 1 |
| H53 | B6 | 7.27 | 1 |
| H54 | B2 | 7.31 | 1 |
| H49 | BA | 7.62 | 1 |
| H58 | A4OH | 7.87 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | ACH3 | 14.12 | 1 |
| C1 | BCH3 | 14.32 | 1 |
| C21 | B | 54.33 | 1 |
| C3 | AOMe | 55.78 | 1 |
| C4 | BOMe | 56.04 | 1 |
| C6 | ACH2 | 61.49 | 1 |
| C5 | BCH2 | 59.99 | 1 |
| C22 | A | 87.36 | 1 |
| C13 | A2 | 110.86 | 1 |
| C12 | B2 | 112.55 | 1 |
| C9 | A5 | 115.48 | 1 |
| C10 | BB | 115.84 | 1 |
| C11 | B6 | 118.31 | 1 |
| C8 | A6 | 119.41 | 1 |
| C16 | B5 | 126.35 | 1 |
| C14 | B1 | 128.23 | 1 |
| C15 | A1 | 129.97 | 1 |
| C7 | BA | 144.66 | 1 |
| C19 | B3 | 147.83 | 1 |
| C18 | A3 | 144.44 | 1 |
| C17 | A4 | 149.50 | 1 |
| C23 | B4 | 147.19 | 1 |
| C20 | BG | 166.65 | 1 |
| C24 | G | 170.42 | 1 |