| SpectraBase Spectrum ID |
9V0xVgV0Tsq |
| Name |
5.alpha.-Pregnane-12,20-dione, cyclic 12-(ethylene acetal) |
| 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/c1-15(24)18-9-10-19-17-8-7-16-6-4-5-11-21(16,2)20(17)14-23(22(18,19)3)25-12-13-26-23/h16-20H,4-14H2,1-3H3 |
| InChIKey |
WZDGJVUENNALLK-UHFFFAOYSA-N |
| Molecular Weight |
360.538 g/mol |
| SMILES |
C12(C)C3(CC4C(C2CCC1C(C)=O)CCC1C4(C)CCCC1)OCCO3 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.908321 |
