| SpectraBase Spectrum ID |
BmwHiZA1mjS |
| Name |
5.alpha.,17.alpha.-Pregnan-20-one, 12.beta.-hydroxy- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.255880333 u |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/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/h14-19,23H,4-12H2,1-3H3/t14-,15+,16+,17+,18+,19-,20+,21-/m1/s1 |
| InChIKey |
YASPNHVWJRCJSJ-MZVBEUMJSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
C[C@]12[C@]([C@]3([C@](C[C@]2(O)[H])([C@]2(C)[C@@](CC3)(CCCC2)[H])[H])[H])(CC[C@]1(C(C)=O)[H])[H] |
