| SpectraBase Spectrum ID |
7xR8T7bvHX6 |
| Name |
5.BETA.-ANDROSTAN-3,11,17-TRIONE |
| CAS Registry Number |
1429-06-7 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
302.188194694 u |
| Formula |
C19H26O3 |
| InChI |
InChI=1S/C19H26O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11,13-14,17H,3-10H2,1-2H3/t11-,13+,14+,17-,18+,19+/m1/s1 |
| InChIKey |
VRHVOUYZPKSINF-KKAFLPRUSA-N |
| Molecular Weight |
302.414 g/mol |
| Nominal Mass |
302 u |
| Number of Peaks |
103 |
| SMILES |
C1(CC[C@@]2([C@]3(C(C[C@@]4(C(CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])=O)C)=O)[H])C)=O |
| SPLASH |
splash10-0kml-6912000000-42029d2a0f51ec689dbe |
| Source File Reference |
LMCM-20077-490U |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
ANDROSTANE-3,11,17-TRIONE
(5R,8S,9S,10S,13S,14S)-10,13-dimethyldecahydro-1H-cyclopenta[a]phenanthrene-3,11,17(2H,4H,9H)-trione |
| Wiley ID |
4_562 |
