| SpectraBase Compound ID | KXW3WZlezZI |
|---|---|
| InChI | InChI=1S/C19H28O7/c1-4-10(2)12-5-7-13(8-6-12)11(3)18(24)26-19-17(23)16(22)15(21)14(9-20)25-19/h5-8,10-11,14-17,19-23H,4,9H2,1-3H3/t10?,11?,14-,15+,16-,17-,19-/m0/s1 |
| InChIKey | CNYWACNICNSPER-PBWTYRGBSA-N |
| Mol Weight | 368.43 g/mol |
| Molecular Formula | C19H28O7 |
| Exact Mass | 368.183503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 71y3J7evIeb |
|---|---|
| Name | 1-o-(2-(4-sec-Butyl-phenyl)-propionyl)-B-D-glucopyranose |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 368.183503235 u |
| Formula | C19H28O7 |
| InChI | InChI=1S/C19H28O7/c1-4-10(2)12-5-7-13(8-6-12)11(3)18(24)26-19-17(23)16(22)15(21)14(9-20)25-19/h5-8,10-11,14-17,19-23H,4,9H2,1-3H3/t10?,11?,14-,15+,16-,17-,19-/m0/s1 |
| InChIKey | CNYWACNICNSPER-PBWTYRGBSA-N |
| Molecular Weight | 368.426 g/mol |
| SMILES | O[C@]1([C@@]([C@](CO)(O[C@]([C@]1(O)[H])(OC(C(C)c1ccc(cc1)C(C)CC)=O)[H])[H])(O)[H])[H] |