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5β-Androstan-3,17-dione
SpectraBase Compound ID 6fOzDe6Mqdl
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-QJISAEMRSA-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 9F2uQ4KeuY
Name 5.BETA.-ANDROSTANE-3,17-DIONE
CAS Registry Number 1229-12-5
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-QJISAEMRSA-N
Molecular Weight 288.431 g/mol
Nominal Mass 288 u
Number of Peaks 260
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 splash10-052o-9850000000-fbd37c5dd264071228b2
Source File Reference LMCM-56579-411R
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms ANDROSTANE-3,17-DIONE, (5.BETA.)- ANDROSTANE-3,17-DIONE (1S,2S,7R,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5,14-dione
Wiley ID 8_39903