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5-ALPHA-ANDROSTAN-3,6-DIONE
SpectraBase Compound ID FG5VEQLCMm8
InChI InChI=1S/C19H28O2/c1-18-7-3-4-14(18)13-11-17(21)16-10-12(20)5-9-19(16,2)15(13)6-8-18/h13-16H,3-11H2,1-2H3/t13-,14-,15-,16+,18-,19+/m0/s1
InChIKey GNWJTKAFPYSBEZ-IJPPCXMXSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BwmHjBdX8dn
Name 5.ALPHA.-ANDROSTANE-3,6-DIONE
CAS Registry Number 6563-99-1
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-18-7-3-4-14(18)13-11-17(21)16-10-12(20)5-9-19(16,2)15(13)6-8-18/h13-16H,3-11H2,1-2H3/t13-,14-,15-,16+,18-,19+/m0/s1
InChIKey GNWJTKAFPYSBEZ-IJPPCXMXSA-N
Molecular Weight 288.431 g/mol
Nominal Mass 288 u
Number of Peaks 64
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CC([C@]2(C1)[H])=O)[H])[H])C)[H])C)=O
SPLASH splash10-0a4i-0190000000-eb514ea897c621c3e352
Source File Reference LMCM-43959-386S
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTANE-3,6-DIONE (5S,8S,9S,10R,13S,14S)-10,13-dimethyldodecahydro-1H-cyclopenta[a]phenanthrene-3,6(2H,10H)-dione
Wiley ID 4_2198