| SpectraBase Spectrum ID |
JRKUy2DqsdN |
| Name |
Norgestrel |
| CAS Registry Number |
6533-00-2 |
| Classification |
Pharmaceutical drug, contraceptive |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
312.208930140 u |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,13,16-19,23H,3,5-12H2,1H3/t16-,17+,18+,19-,20-,21-/m0/s1 |
| InChIKey |
WWYNJERNGUHSAO-XUDSTZEESA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
312.453 g/mol |
| Nominal Mass |
312 u |
| Quality |
893 |
| Retention Index |
2767 |
| SMILES |
O[C@@]1([C@@]2([C@]([C@]3([C@@]([C@@]4(C(CC3)=CC(CC4)=O)[H])(CC2)[H])[H])(CC1)[H])CC)C#C |
| SPLASH |
splash10-057l-7940000000-6b90fd2afce737afa55d |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Levonorgestrel
Mirena
(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-17-hydroxy-1,2,6,7,8,9,10,11,12,14,15,16-\rdodecahydrocyclopenta[a]phenanthren-3-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_012076 |
