| SpectraBase Spectrum ID |
8JdZRq8skqW |
| Name |
3-Hydroxyandrost-4-ene-6,17-dione |
| CAS Registry Number |
63-00-3 |
| Classification |
Pharmaceutical drug, aromatase inhibitor |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
302.188194694 u |
| Formula |
C19H26O3 |
| InChI |
InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,11-14,20H,3-8,10H2,1-2H3/t11-,12-,13-,14-,18+,19-/m0/s1 |
| InChIKey |
ARAPFCZLRWLJAA-LZBOESDWSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
302.414 g/mol |
| Nominal Mass |
302 u |
| Quality |
985 |
| Retention Index |
2407 |
| SMILES |
O[C@@]1(C=C2[C@@]([C@@]3([C@]([C@]4([C@@](C(CC4)=O)(CC3)C)[H])(CC2=O)[H])[H])(CC1)C)[H] |
| SPLASH |
splash10-0udi-7947000000-4481e7c5bafa9fa44286 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
3-OH-Androstene-6,17-dione
(3S,8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,7,8,9,11,12,14,15,16-decahydro-1H-\rcyclopenta[a]p |
| Technique |
GC/MS |
| Wiley ID |
DD2024_014017 |
