| SpectraBase Compound ID | Bsy2ku2Oz3X |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-9-6-12(21-10(2)18)14-15(3,4)8-16(5)13(19)7-11(9)17(14,16)20/h9,11-14,19-20H,6-8H2,1-5H3/t9-,11+,12+,13+,14+,16-,17-/m1/s1 |
| InChIKey | XXXJKEIUHBHWAC-VXZZJCSESA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8v602AfqHfs |
|---|---|
| Name | 4.beta.Acetoxyprobotryane-9.beta.,15.alpha.-diol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-9-6-12(21-10(2)18)14-15(3,4)8-16(5)13(19)7-11(9)17(14,16)20/h9,11-14,19-20H,6-8H2,1-5H3/t9-,11+,12+,13+,14+,16-,17-/m1/s1 |
| InChIKey | XXXJKEIUHBHWAC-VXZZJCSESA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | [C@@]12([C@@]3(CC([C@@]2([C@](C[C@]([C@@]1(C[C@@]3(O)[H])[H])(C)[H])(OC(=O)C)[H])[H])(C)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86221 |