| SpectraBase Spectrum ID |
4wi0luuulAf |
| Name |
Pregn-4-ene-3,20-dione, 19,21-dihydroxy- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
346.214409442 u |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-20-8-7-17-15(16(20)4-5-18(20)19(25)11-22)3-2-13-10-14(24)6-9-21(13,17)12-23/h10,15-18,22-23H,2-9,11-12H2,1H3 |
| InChIKey |
LFISWQXWWGJHBL-UHFFFAOYSA-N |
| Molecular Weight |
346.467 g/mol |
| SMILES |
C(O)[C@]12[C@@]3([C@]([C@]4([C@@](CC3)(C)[C@@](C(CO)=O)(CC4)[H])[H])(CCC2=CC(CC1)=O)[H])[H] |
