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Androstane-3,6,17-trione
SpectraBase Compound ID C0LiwvDMaLa
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/h12-15H,3-10H2,1-2H3/t12-,13-,14-,15-,18+,19-/m0/s1
InChIKey MGUDNDBPVZPSQA-QTUVYZQZSA-N
Mol Weight 302.41 g/mol
Molecular Formula C19H26O3
Exact Mass 302.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8TfDMnyQr7H
Name 5.BETA.-ANDROSTAN-3,6,17-TRIONE
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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/h12-15H,3-10H2,1-2H3/t12-,13-,14-,15-,18+,19-/m0/s1
InChIKey MGUDNDBPVZPSQA-QTUVYZQZSA-N
Molecular Weight 302.414 g/mol
Nominal Mass 302 u
Number of Peaks 88
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC([C@@]2(C1)[H])=O)[H])[H])=O)C)[H])C)=O
SPLASH splash10-0zfr-9713000000-d320b3c6aa6259093555
Source File Reference LMCM-19087-989H
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ANDROSTANE-3,6,17-TRIONE (5R,8R,9S,10R,13S,14S)-10,13-dimethyldecahydro-1H-cyclopenta[a]phenanthrene-3,6,17(2H,10H,14H)-trione
Wiley ID 4_560