| SpectraBase Spectrum ID |
3TIdE6rCsHi |
| Name |
3.beta.-Acetoxy-17.alpha.-methyl-D-homoandrostane-17A-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.266445016 u |
| Formula |
C23H36O3 |
| InChI |
InChI=1S/C23H36O3/c1-14-5-8-19-18-7-6-16-13-17(26-15(2)24)9-11-22(16,3)20(18)10-12-23(19,4)21(14)25/h14,16-20H,5-13H2,1-4H3 |
| InChIKey |
ZUXRZPAASRGBCR-UHFFFAOYSA-N |
| Molecular Weight |
360.538 g/mol |
| SMILES |
C(=O)(OC1CCC2(C(C1)CCC1C2CCC2(C1CCC(C2=O)C)C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964326 |
