| SpectraBase Spectrum ID |
6D66tkbaNZ1 |
| Name |
5.alpha.-Pregn-9(11)-en-12-one, 20.beta.-hydroxy- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
316.240230268 u |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-13(22)16-9-10-17-15-8-7-14-6-4-5-11-20(14,2)18(15)12-19(23)21(16,17)3/h12-17,22H,4-11H2,1-3H3/t13-,14-,15+,16-,17+,20+,21-/m1/s1 |
| InChIKey |
KHZQRFSMAFDOAK-VOBCLVGFSA-N |
| Molecular Weight |
316.485 g/mol |
| SMILES |
C[C@]12[C@]([C@]3(C(=CC2=O)[C@]2(C)[C@@](CC3)(CCCC2)[H])[H])(CC[C@@]1([C@@](C)(O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886862 |
