| SpectraBase Spectrum ID |
HSzAAG2B0BF |
| Name |
5.beta.-Methyl-5-.beta.-androstane-3,17-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
302.224580204 u |
| Formula |
C20H30O2 |
| InChI |
InChI=1S/C20H30O2/c1-18-9-7-14-15-4-5-17(22)19(15,2)10-8-16(14)20(18,3)11-6-13(21)12-18/h14-16H,4-12H2,1-3H3/t14?,15?,16?,18-,19+,20-/m1/s1 |
| InChIKey |
BOLVXTPWFMQDIH-VAWWJDHQSA-N |
| SMILES |
[C@@]12([C@@](CC(CC2)=O)(CCC2C3CCC([C@]3(CCC12)C)=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826491 |
