| SpectraBase Spectrum ID |
CyeQvKJMwGi |
| Name |
Androst-5-en-17-one, 3-hydroxy-, cyclic 1,2-ethanediyl mercaptole (3.beta.) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.189457997 u |
| Formula |
C21H32OS2 |
| InChI |
InChI=1S/C21H32OS2/c1-19-8-5-15(22)13-14(19)3-4-16-17(19)6-9-20(2)18(16)7-10-21(20)23-11-12-24-21/h3,15-18,22H,4-13H2,1-2H3 |
| InChIKey |
WROCQXQWVLSOQA-UHFFFAOYSA-N |
| Molecular Weight |
364.606 g/mol |
| SMILES |
C1(CCC2(C(C1)=CCC1C2CCC2(C1CCC21SCCS1)C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818808 |
