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1,4,6-Androstatrien-17β-ol-3-one
SpectraBase Compound ID HlQWPDu0jdj
InChI InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-17,21H,5-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChIKey WGFQJPRCLLMHRT-DYKIIFRCSA-N
Mol Weight 284.4 g/mol
Molecular Formula C19H24O2
Exact Mass 284.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pAqvtUbWzo
Name 17.BETA.-HYDROXY-ANDROSTA-1,4,6-TRIENE-3-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 284.177630011 u
Formula C19H24O2
InChI InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3-4,7,9,11,14-17,21H,5-6,8,10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChIKey WGFQJPRCLLMHRT-DYKIIFRCSA-N
Molecular Weight 284.399 g/mol
Nominal Mass 284 u
Number of Peaks 131
SMILES O[C@]1(CC[C@]2([C@@]3(C=CC4=CC(C=C[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])[H]
SPLASH splash10-001i-2920000000-e1036b3536996310cf89
Source File Reference LMCM-46617-742Q
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 17-HYDROXYANDROSTA-1,4,6-TRIEN-3-ONE (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-8,9,10,11,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthren-3-one
Wiley ID 4_279