| SpectraBase Compound ID | 9NhnmNDIvj1 |
|---|---|
| InChI | InChI=1S/C21H32O3/c1-13(22)24-16-11-19-17-5-4-14-10-15(23)6-9-21(14,3)18(17)7-8-20(19,2)12-16/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20-,21+/m1/s1 |
| InChIKey | IIDHKRVWBVQTLF-PATVUPGHSA-N |
| Mol Weight | 332.5 g/mol |
| Molecular Formula | C21H32O3 |
| Exact Mass | 332.235145 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | Lpkzp3ngt6E |
|---|---|
| Name | 3-oxo-5.beta.-Androstan-16.beta.-yl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.235144887 u |
| Formula | C21H32O3 |
| InChI | InChI=1S/C21H32O3/c1-13(22)24-16-11-19-17-5-4-14-10-15(23)6-9-21(14,3)18(17)7-8-20(19,2)12-16/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20-,21+/m1/s1 |
| InChIKey | IIDHKRVWBVQTLF-PATVUPGHSA-N |
| Molecular Weight | 332.484 g/mol |
| SMILES | [C@@]12([C@@]3([C@@]([C@@]4(C[C@](OC(=O)C)(C[C@]4(CC3)C)[H])[H])([H])CC[C@@]2(CC(CC1)=O)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976817 |