| SpectraBase Spectrum ID |
FJFhsbBj3Ox |
| Name |
5.alpha.-Androst-1-ene-11.alpha.,17.beta.-diol-3-one(11.alpha.,17.beta.-acetate) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
388.224974125 u |
| Formula |
C23H32O5 |
| InChI |
InChI=1S/C23H32O5/c1-13(24)27-19-12-23(4)18(7-8-20(23)28-14(2)25)17-6-5-15-11-16(26)9-10-22(15,3)21(17)19/h9-10,15,17-21H,5-8,11-12H2,1-4H3 |
| InChIKey |
YQNDIBVAVRHXPR-UHFFFAOYSA-N |
| Molecular Weight |
388.504 g/mol |
| SMILES |
C12(C(C3CCC4C(C3C(C2)OC(=O)C)(C=CC(=O)C4)C)CCC1OC(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.872462 |
