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Androstane-3,17-dione
SpectraBase Compound ID LaRGNqHThvg
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-/m0/s1
InChIKey RAJWOBJTTGJROA-RNQTWYFASA-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 Gvl6ufPRQUw
Name ANDROSTANE-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-/m0/s1
InChIKey RAJWOBJTTGJROA-RNQTWYFASA-N
Molecular Weight 288.431 g/mol
Nominal Mass 288 u
Number of Peaks 147
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCC2C1)[H])[H])=O)C)[H])C)=O
SPLASH splash10-05mx-8960000000-f22eb868c63aba6f8159
Source File Reference LMCM-19870-562Z
Source of Spectrum Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany
Synonyms ANDROSTAN-3,17-DION (1S,2S,10R,11S,15S)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadecane-5,14-dione
Wiley ID 8_23923