| SpectraBase Compound ID | 8we9gxWrjcP |
|---|---|
| InChI | InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h8,16-19,21H,5-7,9-13H2,1-4H3/t16-,17-,18-,19-,21-,22-,23+/m0/s1 |
| InChIKey | JUAATDNYHZEPLN-XWJVLSSFSA-N |
| Mol Weight | 358.5 g/mol |
| Molecular Formula | C23H34O3 |
| Exact Mass | 358.250795 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K7V4EFqSo7m |
|---|---|
| Name | 3.beta.-Acetoxy-5.alpha.,17.alpha.-pregn-14-en-20-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 358.250794952 u |
| Formula | C23H34O3 |
| InChI | InChI=1S/C23H34O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h8,16-19,21H,5-7,9-13H2,1-4H3/t16-,17-,18-,19-,21-,22-,23+/m0/s1 |
| InChIKey | JUAATDNYHZEPLN-XWJVLSSFSA-N |
| Molecular Weight | 358.522 g/mol |
| SMILES | C1=2[C@@]([C@](C(=O)C)(CC2)[H])(CC[C@@]2([C@]3(CC[C@](OC(=O)C)(C[C@@]3(CC[C@@]12[H])[H])[H])C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970774 |