Lignin_cw_compound_140 (C27 H32 O11)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 532.53638
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 |
|---|---|---|---|
| C2 | AcMe | 20.64 | 4 |
| C3 | AcMe | 20.68 | 4 |
| C4 | AcMe | 21.01 | 4 |
| C5 | AcMe | 21.35 | 4 |
| C1 | BB | 22.09 | 1 |
| C6 | OMe | 55.92 | 4 |
| C7 | OMe | 55.97 | 4 |
| C14 | G | 62.99 | 1 |
| C15 | BA | 72.06 | 1 |
| C27 | A | 74.41 | 1 |
| C26 | B | 80.14 | 1 |
| C12 | B2 | 110.74 | 1 |
| C13 | A2 | 111.74 | 1 |
| C10 | B5 | 118.35 | 1 |
| C8 | B6 | 118.67 | 1 |
| C9 | A6 | 119.57 | 1 |
| C11 | A5 | 122.80 | 1 |
| C13 | A1 | 135.24 | 1 |
| C20 | B1 | 136.76 | 1 |
| C22 | A4 | 139.94 | 1 |
| C23 | B4 | 147.53 | 1 |
| C24 | B3 | 150.65 | 1 |
| C25 | A3 | 151.12 | 1 |
| C19 | A4AcC=O | 168.74 | 1 |
| C16 | AcC=O | 169.66 | 4 |
| C17 | AcC=O | 170.25 | 4 |
| C18 | AcC=O | 170.53 | 4 |
| H40 | BB | 1.51 | 1 |
| H41 | BB | 1.51 | 1 |
| H39 | BB | 1.51 | 1 |
| H44 | AcMe | 1.99 | 4 |
| H42 | AcMe | 1.99 | 4 |
| H43 | AcMe | 1.99 | 4 |
| H46 | AcMe | 2.06 | 4 |
| H47 | AcMe | 2.06 | 4 |
| H45 | AcMe | 2.06 | 4 |
| H49 | AcMe | 2.065 | 4 |
| H48 | AcMe | 2.065 | 4 |
| H50 | AcMe | 2.065 | 4 |
| H53 | AcMe | 2.30 | 4 |
| H52 | AcMe | 2.30 | 4 |
| H51 | AcMe | 2.30 | 4 |
| H55 | OMe | 3.82 | 4 |
| H54 | OMe | 3.82 | 4 |
| H56 | OMe | 3.82 | 4 |
| H57 | OMe | 3.83 | 4 |
| H58 | OMe | 3.83 | 4 |
| H59 | OMe | 3.83 | 4 |
| H66 | G1 | 4.04 | 1 |
| H67 | G2 | 4.30 | 1 |
| H69 | B | 4.61 | 1 |
| H68 | BA | 5.82 | 1 |
| H70 | A | 6.11 | 1 |
| C14 | G | 63.0 | 1 |
| C27 | A | 73.7 | 1 |
| C26 | B | 80.1 | 1 |
| C23 | B4 | 146.7 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.45 | 4 |
| C3 | AcMe | 20.58 | 4 |
| C4 | AcMe | 20.91 | 4 |
| C5 | AcMe | 21.15 | 4 |
| C1 | BB | 22.45 | 1 |
| C6 | OMe | 56.29 | 4 |
| C7 | OMe | 56.29 | 4 |
| C14 | G | 63.55 | 1 |
| C15 | BA | 72.39 | 1 |
| C27 | A | 75.34 | 1 |
| C26 | B | 80.68 | 1 |
| C12 | B2 | 111.76 | 1 |
| C13 | A2 | 112.64 | 1 |
| C10 | B5 | 118.85 | 1 |
| C8 | B6 | 119.19 | 1 |
| C9 | A6 | 120.28 | 1 |
| C11 | A5 | 123.51 | 1 |
| C13 | A1 | 136.60 | 1 |
| C20 | B1 | 137.78 | 1 |
| C22 | A4 | 140.88 | 1 |
| C23 | B4 | 148.48 | 1 |
| C24 | B3 | 151.57 | 1 |
| C25 | A3 | 152.18 | 1 |
| C19 | A4AcC=O | 168.82 | 1 |
| C16 | AcC=O | 169.94 | 4 |
| C17 | AcC=O | 170.16 | 4 |
| C18 | AcC=O | 170.62 | 4 |
| C14 | G | 62.5 | 1 |
| C27 | A | 74.5 | 1 |
| C26 | B | 80.2 | 1 |
| C23 | B4 | 147.7 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C2 | AcMe | 20.28 | 4 |
| C3 | AcMe | 20.35 | 4 |
| C4 | AcMe | 20.62 | 4 |
| C5 | AcMe | 20.94 | 4 |
| C1 | BB | 21.89 | 1 |
| C6 | OMe | 55.66 | 4 |
| C7 | OMe | 55.78 | 4 |
| C14 | G | 62.43 | 1 |
| C15 | BA | 71.37 | 1 |
| C27 | A | 74.26 | 1 |
| C26 | B | 79.10 | 1 |
| C12 | B2 | 110.64 | 1 |
| C13 | A2 | 111.62 | 1 |
| C10 | B5 | 117.18 | 1 |
| C8 | B6 | 118.09 | 1 |
| C9 | A6 | 119.38 | 1 |
| C11 | A5 | 122.63 | 1 |
| C13 | A1 | 135.36 | 1 |
| C20 | B1 | 136.11 | 1 |
| C22 | A4 | 139.21 | 1 |
| C23 | B4 | 147.00 | 1 |
| C24 | B3 | 149.92 | 1 |
| C25 | A3 | 150.68 | 1 |
| C19 | A4AcC=O | 168.32 | 1 |
| C16 | AcC=O | 169.31 | 4 |
| C17 | AcC=O | 169.53 | 4 |
| C18 | AcC=O | 169.91 | 4 |
| C14 | G | 61.8 | 1 |
| C27 | A | 73.1 | 1 |
| C26 | B | 78.3 | 1 |
| C23 | B4 | 146.1 | 1 |