| SpectraBase Spectrum ID |
GGRph88yhcs |
| Name |
Pregna-5,8,16-triene-3.beta.-ol-20-one acetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.219494823 u |
| Formula |
C23H30O3 |
| InChI |
InChI=1S/C23H30O3/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/h5,7,17,20H,6,8-13H2,1-4H3 |
| InChIKey |
GTPFVMZKLPEZDM-UHFFFAOYSA-N |
| Molecular Weight |
354.490 g/mol |
| SMILES |
C(=O)(C)C=1C2(C)CCC=3C4(C)CCC(CC4=CCC3C2CC1)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887892 |
