| SpectraBase Spectrum ID |
4bmwihI6i6n |
| Name |
Exemestane |
| CAS Registry Number |
107868-30-4 |
| Classification |
Steroidal aromatase inhibitor |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
296.177630011 u |
| Formula |
C20H24O2 |
| InChI |
InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1 |
| InChIKey |
BFYIZQONLCFLEV-DAELLWKTSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
296.410 g/mol |
| Nominal Mass |
296 u |
| Retention Index |
2374 |
| SMILES |
[C@]12([C@]([C@]3([C@@](C(CC3)=O)(CC1)C)[H])(CC(C=1[C@@]2(C=CC(C1)=O)C)=C)[H])[H] |
| SPLASH |
splash10-0002-3900000000-eca88f376ea9a953f84e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Aromasin
6-Methylideneandrosta-1,4-diene-3,17-dione
Nikidess
(8R,9S,10R,13S,14S)-10,13-Dimethyl-6-methylene-7,8,9,11,12,14,15,16-octahydro- \rcyclopenta[a]-phenanthrene-3,17-dione |
| Technique |
GC/MS |
| Wiley ID |
DD2024_035033 |
