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5a-Androst-16-en-3-one
SpectraBase Compound ID 32WEjnRNA8U
InChI InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
InChIKey HFVMLYAGWXSTQI-QYXZOKGRSA-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 E2txtPc7Lyu
Name 5.ALPHA.-ANDROST-16-ENE-3-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 272.214015521 u
Formula C19H28O
InChI InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3/t13-,15-,16-,17-,18-,19-/m0/s1
InChIKey HFVMLYAGWXSTQI-QYXZOKGRSA-N
Molecular Weight 272.432 g/mol
Nominal Mass 272 u
Number of Peaks 67
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(C=CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])C)[H])C)=O
SPLASH splash10-05fu-9770000000-578f5f1d9d2b7b289f63
Source File Reference LMCM-69855-417V
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ANDROST-16-EN-3-ONE (5S,8R,9S,10S,13R,14S)-10,13-dimethyl-4,5,6,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_575