Lignin_cw_compound_2015 (C30 H34 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 538.58556
This is of the category: Trimers
Concentration: Saturated (Source: Stephane Quideau)
Spectrometer: Bruker DRX - 360 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 55.76 | 1 |
| C2 | B3OMe | 55.85 | 1 |
| C3 | C3OMe | 55.93 | 1 |
| C19 | G | 62.17 | 1 |
| C14 | BG | 63.56 | 1 |
| C15 | CG | 63.63 | 1 |
| C30 | A | 81.68 | 1 |
| C29 | B | 85.42 | 1 |
| C17 | C2 | 109.38 | 1 |
| C16 | B2 | 109.54 | 1 |
| C18 | A2 | 109.77 | 1 |
| C11 | A5 | 114.26 | 1 |
| C13 | C5 | 115.94 | 1 |
| C12 | B5 | 119.13 | 1 |
| C9 | C6 | 119.49 | 1 |
| C8 | B6 | 119.74 | 1 |
| C10 | A6 | 120.33 | 1 |
| C5 | CB | 127.10 | 1 |
| C4 | BB | 127.60 | 1 |
| C6 | BA | 130.59 | 1 |
| C7 | CA | 130.79 | 1 |
| C22 | A1 | 130.43 | 1 |
| C21 | C1 | 130.85 | 1 |
| C20 | B1 | 132.09 | 1 |
| C23 | A4 | 145.49 | 1 |
| C25 | C4 | 146.64 | 1 |
| C26 | A3 | 146.85 | 1 |
| C24 | B4 | 147.08 | 1 |
| C28 | C3 | 149.80 | 1 |
| C27 | B3 | 150.81 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 56.18 | 1 |
| C2 | B3OMe | 56.20 | 1 |
| C3 | C3OMe | 56.32 | 1 |
| C19 | G | 61.75 | 1 |
| C14 | BG | 63.25 | 1 |
| C15 | CG | 63.25 | 1 |
| C30 | A | 81.15 | 1 |
| C29 | B | 85.31 | 1 |
| C17 | C2 | 110.74 | 1 |
| C16 | B2 | 110.93 | 1 |
| C18 | A2 | 112.11 | 1 |
| C11 | A5 | 115.23 | 1 |
| C13 | C5 | 117.02 | 1 |
| C12 | B5 | 119.04 | 1 |
| C9 | C6 | 119.90 | 1 |
| C8 | B6 | 120.15 | 1 |
| C10 | A6 | 121.49 | 1 |
| C5 | CB | 129.22 | 1 |
| C4 | BB | 129.45 | 1 |
| C6 | BA | 129.85 | 1 |
| C7 | CA | 129.85 | 1 |
| C22 | A1 | 130.39 | 1 |
| C21 | C1 | 132.05 | 1 |
| C20 | B1 | 132.74 | 1 |
| C23 | A4 | 147.18 | 1 |
| C25 | C4 | 147.77 | 1 |
| C26 | A3 | 148.10 | 1 |
| C24 | B4 | 148.61 | 1 |
| C28 | C3 | 151.17 | 1 |
| C27 | B3 | 151.71 | 1 |
| H69 | AA | 5.46 | 1 |
| H68 | AB | 4.56 | 1 |
| H66 | AG1 | 3.81 | 1 |
| H67 | AG2 | 3.93 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | A3OMe | 55.41 | 1 |
| C2 | B3OMe | 55.61 | 1 |
| C3 | C3OMe | 55.80 | 1 |
| C19 | G | 59.74 | 1 |
| C14 | BG | 61.52 | 1 |
| C15 | CG | 61.58 | 1 |
| C30 | A | 79.01 | 1 |
| C29 | B | 82.53 | 1 |
| C17 | C2 | 109.93 | 1 |
| C16 | B2 | 109.93 | 1 |
| C18 | A2 | 111.91 | 1 |
| C11 | A5 | 114.74 | 1 |
| C13 | C5 | 115.71 | 1 |
| C12 | B5 | 116.15 | 1 |
| C9 | C6 | 118.87 | 1 |
| C8 | B6 | 119.00 | 1 |
| C10 | A6 | 120.34 | 1 |
| C5 | CB | 128.32 | 1 |
| C4 | BB | 128.47 | 1 |
| C6 | BA | 130.49 | 1 |
| C7 | CA | 130.49 | 1 |
| C22 | A1 | 128.24 | 1 |
| C21 | C1 | 128.71 | 1 |
| C20 | B1 | 128.82 | 1 |
| C23 | A4 | 146.07 | 1 |
| C25 | C4 | 146.27 | 1 |
| C26 | A3 | 147.11 | 1 |
| C24 | B4 | 147.36 | 1 |
| C28 | C3 | 149.73 | 1 |
| C27 | B3 | 149.80 | 1 |