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Androstane-3,17-dione
SpectraBase Compound ID JcWQ9FrG5Ws
InChI InChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12-,14+,15-,16+,18+,19+/m1/s1
InChIKey RAJWOBJTTGJROA-LEDXHQHZSA-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 JYzt8H2eDhx
Name 5.BETA.,14.BETA.-ANDROSTAN-3,17-DIONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/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/h12,14-16H,3-11H2,1-2H3/t12-,14+,15-,16+,18+,19+/m1/s1
InChIKey RAJWOBJTTGJROA-LEDXHQHZSA-N
Molecular Weight 288.431 g/mol
Nominal Mass 288 u
Number of Peaks 78
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])=O)C)[H])C)=O
SPLASH splash10-0079-9860000000-5cae728852437160e620
Source File Reference LMCM-32029-263Q
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ANDROSTANE-3,17-DIONE (5R,8R,9S,10S,13S,14R)-10,13-dimethyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione
Wiley ID 4_567