Alpha,beta Xylose Acetate (C13 H18 O9)
Authors: Sally Ralph, John Ralph, Larry L. Landucci
From: NMR Database of Lignin and Cell Wall Model Compounds.
Natural Isotopic formula weight: 318.27662
This is of the category: Misc. Compounds
Concentration: Saturated (Source: John Ralph Lab)
Spectrometer: Bruker WM - 250 MHz
Assigned chemical shifts
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.42 | 4 |
| C1 | AcMe | 20.54 | 4 |
| C2 | AcMe | 20.60 | 4 |
| C2 | AcMe | 20.60 | 4 |
| C3 | AcMe | 20.66 | 4 |
| C3 | AcMe | 20.66 | 4 |
| C4 | AcMe | 20.74 | 4 |
| C4 | AcMe | 20.79 | 4 |
| C13 | 5 | 60.65 | 1 |
| C13 | 5 | 62.76 | 1 |
| C12 | 4 | 68.35 | 1 |
| C12 | 4 | 68.67 | 1 |
| C11 | 3 | 69.39 | 1 |
| C11 | 3 | 69.39 | 1 |
| C10 | 2 | 69.53 | 1 |
| C10 | 2 | 70.97 | 1 |
| C5 | 1 | 89.26 | 1 |
| C5 | 1 | 92.05 | 1 |
| C6 | AcC=O | 168.92 | 4 |
| C6 | AcC=O | 168.92 | 4 |
| C7 | AcC=O | 169.22 | 4 |
| C7 | AcC=O | 169.65 | 4 |
| C8 | AcC=O | 169.68 | 4 |
| C8 | AcC=O | 169.68 | 4 |
| C9 | AcC=O | 169.75 | 4 |
| C9 | AcC=O | 170.02 | 4 |
| H23 | AcMe | 2.02 | 4 |
| H25 | AcMe | 2.02 | 4 |
| H24 | AcMe | 2.02 | 4 |
| H23 | AcMe | 2.049 | 4 |
| H25 | AcMe | 2.049 | 4 |
| H24 | AcMe | 2.049 | 4 |
| H26 | AcMe | 2.049 | 4 |
| H28 | AcMe | 2.049 | 4 |
| H27 | AcMe | 2.049 | 4 |
| H26 | AcMe | 2.052 | 4 |
| H28 | AcMe | 2.052 | 4 |
| H27 | AcMe | 2.052 | 4 |
| H30 | AcMe | 2.052 | 4 |
| H31 | AcMe | 2.052 | 4 |
| H29 | AcMe | 2.052 | 4 |
| H30 | AcMe | 2.06 | 4 |
| H31 | AcMe | 2.06 | 4 |
| H29 | AcMe | 2.06 | 4 |
| H34 | AcMe | 2.11 | 4 |
| H32 | AcMe | 2.11 | 4 |
| H33 | AcMe | 2.11 | 4 |
| H34 | AcMe | 2.17 | 4 |
| H32 | AcMe | 2.17 | 4 |
| H33 | AcMe | 2.17 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.35 | 4 |
| C1 | AcMe | 20.46 | 4 |
| C2 | AcMe | 20.51 | 4 |
| C2 | AcMe | 20.55 | 4 |
| C3 | AcMe | 20.55 | 4 |
| C3 | AcMe | 20.55 | 4 |
| C4 | AcMe | 20.65 | 4 |
| C4 | AcMe | 20.65 | 4 |
| C13 | 5 | 61.12 | 1 |
| C13 | 5 | 63.14 | 1 |
| C12 | 4 | 69.09 | 1 |
| C12 | 4 | 69.22 | 1 |
| C11 | 3 | 69.87 | 1 |
| C11 | 3 | 70.24 | 1 |
| C10 | 2 | 70.30 | 1 |
| C10 | 2 | 71.54 | 1 |
| C5 | 1 | 89.76 | 1 |
| C5 | 1 | 92.67 | 1 |
| C6 | AcC=O | 169.35 | 4 |
| C6 | AcC=O | 169.53 | 4 |
| C7 | AcC=O | 169.66 | 4 |
| C7 | AcC=O | 170.01 | 4 |
| C8 | AcC=O | 170.10 | 4 |
| C8 | AcC=O | 170.19 | 4 |
| C9 | AcC=O | 170.22 | 4 |
| C9 | AcC=O | 170.22 | 4 |
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C1 | AcMe | 20.21 | 4 |
| C1 | AcMe | 20.25 | 4 |
| C2 | AcMe | 20.34 | 4 |
| C2 | AcMe | 20.34 | 4 |
| C3 | AcMe | 20.34 | 4 |
| C3 | AcMe | 20.34 | 4 |
| C4 | AcMe | 20.44 | 4 |
| C4 | AcMe | 20.52 | 4 |
| C13 | 5 | 60.05 | 1 |
| C13 | 5 | 62.01 | 1 |
| C12 | 4 | 67.99 | 1 |
| C12 | 4 | 68.10 | 1 |
| C11 | 3 | 68.83 | 1 |
| C11 | 3 | 68.93 | 1 |
| C10 | 2 | 69.36 | 1 |
| C10 | 2 | 70.52 | 1 |
| C5 | 1 | 88.60 | 1 |
| C5 | 1 | 91.49 | 1 |
| C6 | AcC=O | 168.78 | 4 |
| C6 | AcC=O | 169.02 | 4 |
| C7 | AcC=O | 169.02 | 4 |
| C7 | AcC=O | 169.36 | 4 |
| C8 | AcC=O | 169.41 | 4 |
| C8 | AcC=O | 169.49 | 4 |
| C9 | AcC=O | 169.54 | 4 |
| C9 | AcC=O | 169.58 | 4 |