| SpectraBase Spectrum ID |
4c0PaYyeKZG |
| Name |
3.beta.-Hydroxy-pregna-5,16-diene-20-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
314.224580204 u |
| Formula |
C21H30O2 |
| InChI |
InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3 |
| InChIKey |
YLFRRPUBVUAHSR-UHFFFAOYSA-N |
| Molecular Weight |
314.469 g/mol |
| SMILES |
C12(C(=CCC2C2C(C3(CCC(CC3=CC2)O)C)CC1)C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.853451 |
