| SpectraBase Spectrum ID |
5wb1gtfKRqu |
| Name |
3.beta.,16.alpha.-Dihydroxy-5.alpha.-pregnan-20-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h13-19,23-24H,4-11H2,1-3H3 |
| InChIKey |
FGDFFHLIMDMCJI-UHFFFAOYSA-N |
| Molecular Weight |
334.500 g/mol |
| SMILES |
C12(C(C3C(C4(CCC(CC4CC3)O)C)CC2)CC(C1C(=O)C)O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846098 |
