| SpectraBase Spectrum ID |
2vZb9dSI0fj |
| Name |
Pregn-5-en-20-one, 3-(acetyloxy)-, (3beta)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
362.282095081 u |
| Formula |
C23H38O3 |
| InChI |
InChI=1S/C23H38O3/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/h5,14-15,17-21,24-25H,6-13H2,1-4H3 |
| InChIKey |
BDECJDZYPDHJEN-UHFFFAOYSA-N |
| Molecular Weight |
362.554 g/mol |
| Nominal Mass |
362 u |
| SMILES |
OC(C1CCC2C1(CCC1C2CC=C2C1(CCC(OC(O)C)C2)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872656 |
