| SpectraBase Spectrum ID |
FpOT1EseTXG |
| Name |
ANDROST-4-ENE-7.ALPHA.-OL-3,17-DIONE |
| CAS Registry Number |
62-84-0 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
302.188194694 u |
| Formula |
C19H26O3 |
| InChI |
InChI=1S/C19H26O3/c1-18-7-5-12(20)9-11(18)10-15(21)17-13-3-4-16(22)19(13,2)8-6-14(17)18/h9,13-15,17,21H,3-8,10H2,1-2H3/t13-,14-,15+,17-,18-,19-/m0/s1 |
| InChIKey |
LFWLQMQUJQUZBD-TYHLISGHSA-N |
| Molecular Weight |
302.414 g/mol |
| Nominal Mass |
302 u |
| Number of Peaks |
61 |
| SMILES |
O[C@@]1(CC2=CC(CC[C@@]2([C@]2(CC[C@@]3(C(CC[C@]3([C@]12[H])[H])=O)C)[H])C)=O)[H] |
| SPLASH |
splash10-00di-5901000000-5c3ca832c142229cb64e |
| Source File Reference |
LMCM-76204-112V |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
7-HYDROXYANDROST-4-ENE-3,17-DIONE
(7R,8R,9S,10R,13S,14S)-7-hydroxy-10,13-dimethyl-7,8,9,10,11,12,13,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,6H)-dione |
| Wiley ID |
4_651 |
