| SpectraBase Compound ID | EQuvmubzAgM |
|---|---|
| InChI | InChI=1S/C23H32O3/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/h7-8,16-18,21H,5-6,9-13H2,1-4H3/t16-,17-,18-,21-,22-,23+/m0/s1 |
| InChIKey | SZGDFEZFBKUSAS-VGSLKJDUSA-N |
| Mol Weight | 356.5 g/mol |
| Molecular Formula | C23H32O3 |
| Exact Mass | 356.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Goqf2mFJDhp |
|---|---|
| Name | 3.beta.-Acetoxy-5.alpha.-pregn-14,16-dien-20-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.235144887 u |
| Formula | C23H32O3 |
| InChI | InChI=1S/C23H32O3/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/h7-8,16-18,21H,5-6,9-13H2,1-4H3/t16-,17-,18-,21-,22-,23+/m0/s1 |
| InChIKey | SZGDFEZFBKUSAS-VGSLKJDUSA-N |
| Molecular Weight | 356.506 g/mol |
| SMILES | [C@@]12(C([C@@]3(CC[C@@]4([C@@]([C@]3(CC2)[H])(CC[C@](OC(=O)C)(C4)[H])C)[H])[H])=CC=C1C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964547 |