| SpectraBase Spectrum ID |
CEszXDFx4m8 |
| Name |
21-Acetoxypregnenolone |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. Portions provided by AAFS, Toxicology Section. All Rights Reserved. |
| Formula |
C23H34O4 |
| InChI |
InChI=1S/C23H34O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h4,16-20,25H,5-13H2,1-3H3/t16-,17-,18-,19-,20+,22-,23-/m0/s1 |
| InChIKey |
MDJRZSNPHZEMJH-MTMZYOSNSA-N |
| SMILES |
O[C@]1(CC[C@@]2(C)C(=CC[C@@]3([C@@]2(CC[C@]2(C)[C@@](C(COC(C)=O)=O)(CC[C@@]32[H])[H])[H])[H])C1)[H] |
| SPLASH |
splash10-0pbc-7922000000-1c8b0e252dc9297578d6 |
| Source of Spectrum |
Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences |
