H-b-H5e (C22 H24 O7)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 400.42176
This is of the category: b-O-4 Dimers, 3-Carbon Sidechain
Concentration: 50 mg/ml (Source: Sally Ralph)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 20.31 | 1 |
| C2 | AGAcMe | 20.50 | 1 |
| C4 | AAAcMe | 20.77 | 1 |
| C3 | A4AcMe | 20.88 | 1 |
| C13 | G | 62.15 | 1 |
| C22 | A | 73.33 | 1 |
| C21 | B | 78.69 | 1 |
| C9 | B3 | 116.76 | 1 |
| C10 | B5 | 116.76 | 1 |
| C11 | A3 | 121.44 | 1 |
| C12 | A5 | 121.44 | 1 |
| C7 | A2 | 128.30 | 1 |
| C8 | A6 | 128.30 | 1 |
| C5 | B2 | 129.88 | 1 |
| C6 | B6 | 129.88 | 1 |
| C14 | B1 | 131.39 | 1 |
| C18 | A1 | 133.83 | 1 |
| C19 | A4 | 150.54 | 1 |
| C20 | B4 | 155.77 | 1 |
| C16 | A4AcC=O | 168.99 | 1 |
| C17 | AAcC=O | 169.31 | 1 |
| C15 | GAcC=O | 170.48 | 1 |
| H33 | AGAcMe | 2.02 | 1 |
| H34 | AGAcMe | 2.02 | 1 |
| H35 | AGAcMe | 2.02 | 1 |
| H39 | AAAcMe | 2.09 | 1 |
| H40 | AAAcMe | 2.09 | 1 |
| H41 | AAAcMe | 2.09 | 1 |
| H30 | BA | 2.28 | 1 |
| H31 | BA | 2.28 | 1 |
| H32 | BA | 2.28 | 1 |
| H36 | A4AcMe | 2.28 | 1 |
| H37 | A4AcMe | 2.28 | 1 |
| H38 | A4AcMe | 2.28 | 1 |
| H50 | G1 | 4.20 | 1 |
| H51 | G2 | 4.37 | 1 |
| H52 | B | 4.66 | 1 |
| H53 | A | 6.04 | 1 |
| H46 | B3 | 6.77 | 1 |
| H47 | B5 | 6.77 | 1 |
| H42 | B2 | 7.07 | 1 |
| H43 | B6 | 7.07 | 1 |
| H48 | A3 | 7.07 | 1 |
| H49 | A5 | 7.07 | 1 |
| H44 | A2 | 7.42 | 1 |
| H45 | A6 | 7.42 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 20.49 | 1 |
| C2 | AGAcMe | 20.58 | 1 |
| C4 | AAAcMe | 20.86 | 1 |
| C3 | A4AcMe | 20.94 | 1 |
| C13 | G | 62.86 | 1 |
| C22 | A | 74.12 | 1 |
| C21 | B | 79.27 | 1 |
| C9 | B3 | 117.56 | 1 |
| C10 | B5 | 117.56 | 1 |
| C11 | A3 | 122.49 | 1 |
| C12 | A5 | 122.49 | 1 |
| C7 | A2 | 129.31 | 1 |
| C8 | A6 | 129.31 | 1 |
| C5 | B2 | 130.74 | 1 |
| C6 | B6 | 130.74 | 1 |
| C14 | B1 | 131.85 | 1 |
| C18 | A1 | 135.33 | 1 |
| C19 | A4 | 151.79 | 1 |
| C20 | B4 | 157.04 | 1 |
| C16 | A4AcC=O | 169.53 | 1 |
| C17 | AAcC=O | 169.86 | 1 |
| C15 | GAcC=O | 170.76 | 1 |
| HX | AGAcMe | 1.94 | 1 |
| HX | AGAcMe | 1.94 | 1 |
| HX | AGAcMe | 1.94 | 1 |
| HX | AAAcMe | 2.06 | 1 |
| HX | AAAcMe | 2.06 | 1 |
| HX | AAAcMe | 2.06 | 1 |
| HX | BA | 2.23 | 1 |
| HX | BA | 2.23 | 1 |
| HX | BA | 2.23 | 1 |
| HX | A4AcMe | 2.23 | 1 |
| HX | A4AcMe | 2.23 | 1 |
| HX | A4AcMe | 2.23 | 1 |
| HX | G1 | 4.23 | 1 |
| HX | G2 | 4.34 | 1 |
| HX | B | 4.83 | 1 |
| HX | A | 6.04 | 1 |
| HX | B3 | 6.85 | 1 |
| HX | B5 | 6.85 | 1 |
| HX | B2 | 7.08 | 1 |
| HX | B6 | 7.08 | 1 |
| HX | A3 | 7.08 | 1 |
| HX | A5 | 7.08 | 1 |
| HX | A2 | 7.51 | 1 |
| HX | A6 | 7.51 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 20.04 | 1 |
| C2 | AGAcMe | 20.40 | 1 |
| C4 | AAAcMe | 20.63 | 1 |
| C3 | A4AcMe | 20.77 | 1 |
| C13 | G | 61.77 | 1 |
| C22 | A | 72.74 | 1 |
| C21 | B | 77.41 | 1 |
| C9 | B3 | 116.37 | 1 |
| C10 | B5 | 116.37 | 1 |
| C11 | A3 | 121.66 | 1 |
| C12 | A5 | 121.66 | 1 |
| C7 | A2 | 128.31 | 1 |
| C8 | A6 | 128.31 | 1 |
| C5 | B2 | 130.33 | 1 |
| C6 | B6 | 130.33 | 1 |
| C14 | B1 | 130.51 | 1 |
| C18 | A1 | 134.09 | 1 |
| C19 | A4 | 150.23 | 1 |
| C20 | B4 | 155.46 | 1 |
| C16 | A4AcC=O | 169.05 | 1 |
| C17 | AAcC=O | 169.21 | 1 |
| C15 | GAcC=O | 170.04 | 1 |