| SpectraBase Spectrum ID |
8mWwlwRDWos |
| Name |
Etonogestrel |
| Source of Sample |
Sigma-Aldrich Company LLC |
| Catalog Number |
SML0356 |
| Lot Number |
035M4726V |
| CAS Registry Number |
54048-10-1 |
| Classification |
active metabolite of Desogestrel |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H28O2 |
| InChI |
InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1 |
| InChIKey |
GCKFUYQCUCGESZ-BPIQYHPVSA-N |
| Instrument Name |
Bio-Rad FTS |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(CC\C4=C\C(CC[C@@]4([C@]3(C(C[C@]12CC)=C)[H])[H])=O)[H])[H])C#C |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
(17α)-13-Ethyl-17-hydroxy-11-methylene-18,19-dinorpregn-4-en-20-yn-3-one; 3-Keto-desogestrel; 3-Oxo-desogestrel |
| Technique |
KBr0 |
