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5.alpha.-Androstane-3,7,17-trione
SpectraBase Compound ID 1hKaywJIpBa
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/h11,13-14,17H,3-10H2,1-2H3/t11-,13+,14+,17+,18+,19+/m1/s1
InChIKey FJZKBPUBWKYMHG-ZBKHRRJXSA-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 CRS5a5yBSKO
Name 5.ALPHA.-ANDROSTAN-3,7,17-TRIONE
Copyright Copyright © 2011-2025 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/h11,13-14,17H,3-10H2,1-2H3/t11-,13+,14+,17+,18+,19+/m1/s1
InChIKey FJZKBPUBWKYMHG-ZBKHRRJXSA-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(C(C[C@]2(C1)[H])=O)[H])[H])=O)C)[H])C)=O
SPLASH splash10-0pb9-9674000000-41b9142bb13c532c551c
Source File Reference LMCM-53126-911T
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ANDROSTANE-3,7,17-TRIONE (5R,8R,9S,10S,13S,14S)-10,13-dimethyldecahydro-1H-cyclopenta[a]phenanthrene-3,7,17(2H,4H,8H)-trione
Wiley ID 4_559