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5.alpha.-Androst-3-ene-17-one
SpectraBase Compound ID KztWInbWS9K
InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKey RJWNCDOWHNLVPF-HKQXQEGQSA-N
Mol Weight 272.43 g/mol
Molecular Formula C19H28O
Exact Mass 272.214016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jc2ipRDXqWu
Name 5.ALPHA.-ANDROST-3-ENE-17-ONE
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Exact Mass 272.214015521 u
Formula C19H28O
InChI InChI=1S/C19H28O/c1-18-11-4-3-5-13(18)6-7-14-15-8-9-17(20)19(15,2)12-10-16(14)18/h3,5,13-16H,4,6-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKey RJWNCDOWHNLVPF-HKQXQEGQSA-N
Molecular Weight 272.432 g/mol
Nominal Mass 272 u
Number of Peaks 70
SMILES C=1CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])=O)C)[H])C
SPLASH splash10-05fr-8690000000-20fe9ec8ee6fb78e14e0
Source File Reference LMCM-57030-857H
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ANDROST-3-EN-17-ONE (5S,8R,9S,10S,13S,14S)-10,13-dimethyl-5,6,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Wiley ID 4_566