H-b-H5t (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 | 20.49 | 1 |
| C2 | AGAcMe | 20.64 | 1 |
| C4 | AAAcMe | 20.97 | 1 |
| C3 | A4AcMe | 21.08 | 1 |
| C13 | G | 62.68 | 1 |
| C22 | A | 73.94 | 1 |
| C21 | B | 78.49 | 1 |
| C9 | B3 | 116.48 | 1 |
| C10 | B5 | 116.48 | 1 |
| C11 | A3 | 121.78 | 1 |
| C12 | A5 | 121.78 | 1 |
| C7 | A2 | 128.47 | 1 |
| C8 | A6 | 128.47 | 1 |
| C5 | B2 | 130.04 | 1 |
| C6 | B6 | 130.04 | 1 |
| C14 | B1 | 131.37 | 1 |
| C18 | A1 | 133.81 | 1 |
| C19 | A4 | 150.84 | 1 |
| C20 | B4 | 156.33 | 1 |
| C16 | A4AcC=O | 169.15 | 1 |
| C17 | AAcC=O | 169.73 | 1 |
| C15 | GAcC=O | 170.57 | 1 |
| H33 | AGAcMe | 1.98 | 1 |
| H35 | AGAcMe | 1.98 | 1 |
| H34 | AGAcMe | 1.98 | 1 |
| H41 | AAAcMe | 2.05 | 1 |
| H40 | AAAcMe | 2.05 | 1 |
| H39 | AAAcMe | 2.05 | 1 |
| H31 | BA | 2.28 | 1 |
| H32 | BA | 2.28 | 1 |
| H30 | BA | 2.28 | 1 |
| H36 | A4AcMe | 2.28 | 1 |
| H38 | A4AcMe | 2.28 | 1 |
| H37 | A4AcMe | 2.28 | 1 |
| H50 | G1 | 4.00 | 1 |
| H51 | G2 | 4.26 | 1 |
| H52 | B | 4.64 | 1 |
| H53 | A | 6.09 | 1 |
| H46 | B3 | 6.85 | 1 |
| H47 | B5 | 6.85 | 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 | 20.55 | 1 |
| C4 | AAAcMe | 20.88 | 1 |
| C3 | A4AcMe | 20.94 | 1 |
| C13 | G | 63.27 | 1 |
| C22 | A | 74.88 | 1 |
| C21 | B | 79.27 | 1 |
| C9 | B3 | 117.24 | 1 |
| C10 | B5 | 117.24 | 1 |
| C11 | A3 | 122.67 | 1 |
| C12 | A5 | 122.67 | 1 |
| C7 | A2 | 129.33 | 1 |
| C8 | A6 | 129.33 | 1 |
| C5 | B2 | 130.74 | 1 |
| C6 | B6 | 130.74 | 1 |
| C14 | B1 | 131.66 | 1 |
| C18 | A1 | 135.22 | 1 |
| C19 | A4 | 151.94 | 1 |
| C20 | B4 | 157.59 | 1 |
| C16 | A4AcC=O | 169.52 | 1 |
| C17 | AAcC=O | 170.04 | 1 |
| C15 | GAcC=O | 170.68 | 1 |
| H33 | AGAcMe | 1.94 | 1 |
| H35 | AGAcMe | 1.94 | 1 |
| H34 | AGAcMe | 1.94 | 1 |
| H41 | AAAcMe | 2.01 | 1 |
| H40 | AAAcMe | 2.01 | 1 |
| H39 | AAAcMe | 2.01 | 1 |
| H31 | BA | 2.24 | 1 |
| H32 | BA | 2.24 | 1 |
| H30 | BA | 2.24 | 1 |
| H36 | A4AcMe | 2.24 | 1 |
| H38 | A4AcMe | 2.24 | 1 |
| H37 | A4AcMe | 2.24 | 1 |
| H50 | G1 | 4.01 | 1 |
| H51 | G2 | 4.23 | 1 |
| H52 | B | 4.83 | 1 |
| H53 | A | 6.10 | 1 |
| H46 | B3 | 6.90 | 1 |
| H47 | B5 | 6.90 | 1 |
| H42 | B2 | 7.10 | 1 |
| H43 | B6 | 7.10 | 1 |
| H48 | A3 | 7.10 | 1 |
| H49 | A5 | 7.10 | 1 |
| H44 | A2 | 7.51 | 1 |
| H45 | A6 | 7.51 | 1 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | BA | 20.03 | 1 |
| C2 | AGAcMe | 20.39 | 1 |
| C4 | AAAcMe | 20.64 | 1 |
| C3 | A4AcMe | 20.77 | 1 |
| C13 | G | 62.23 | 1 |
| C22 | A | 73.77 | 1 |
| C21 | B | 77.74 | 1 |
| C9 | B3 | 116.09 | 1 |
| C10 | B5 | 116.09 | 1 |
| C11 | A3 | 121.81 | 1 |
| C12 | A5 | 121.81 | 1 |
| C7 | A2 | 128.37 | 1 |
| C8 | A6 | 128.37 | 1 |
| C5 | B2 | 129.81 | 1 |
| C6 | B6 | 129.81 | 1 |
| C14 | B1 | 130.33 | 1 |
| C18 | A1 | 134.04 | 1 |
| C19 | A4 | 150.36 | 1 |
| C20 | B4 | 156.12 | 1 |
| C16 | A4AcC=O | 169.04 | 1 |
| C17 | AAcC=O | 169.41 | 1 |
| C15 | GAcC=O | 169.98 | 1 |