| SpectraBase Compound ID | BhaDtPnMgpf |
|---|---|
| InChI | InChI=1S/C24H36O4/c1-5-12-24(27)19-8-6-16-17-7-9-21(28-15(2)25)23(17,4)13-10-18(16)22(19,3)14-11-20(24)26/h8,16-18,21,27H,5-7,9-14H2,1-4H3/t16-,17-,18-,21-,22+,23-,24?/m0/s1 |
| InChIKey | OMOOLAZPCKLZCR-ATUWMKEBSA-N |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C24H36O4 |
| Exact Mass | 388.26136 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BhB48MrSmaC |
|---|---|
| Name | 17.beta.-Acetoxy-4-hydroxy-4-propyl-5-androsten-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 388.261359635 u |
| Formula | C24H36O4 |
| InChI | InChI=1S/C24H36O4/c1-5-12-24(27)19-8-6-16-17-7-9-21(28-15(2)25)23(17,4)13-10-18(16)22(19,3)14-11-20(24)26/h8,16-18,21,27H,5-7,9-14H2,1-4H3/t16-,17-,18-,21-,22+,23-,24?/m0/s1 |
| InChIKey | OMOOLAZPCKLZCR-ATUWMKEBSA-N |
| Molecular Weight | 388.548 g/mol |
| SMILES | C1(CC[C@]2(C(C1(CCC)O)=CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@@]2(OC(=O)C)[H])[H])C)[H])[H])C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.809801 |