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3-HYDROXYANDROST-5-EN-17-ONE
SpectraBase Compound ID BXI3Nnj6Q70
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/h3,13-16,20H,4-11H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKey FMGSKLZLMKYGDP-HKQXQEGQSA-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 2S1iTOLPXXC
Name 3.ALPHA.-HYDROXY-ANDROST-5-ENE-17-ONE
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/h3,13-16,20H,4-11H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKey FMGSKLZLMKYGDP-HKQXQEGQSA-N
Molecular Weight 288.431 g/mol
Nominal Mass 288 u
Number of Peaks 137
SMILES O[C@@]1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC=C2C1)[H])[H])=O)C)[H])C)[H]
SPLASH splash10-0abl-9880000000-524ce5dc3580f1972165
Source File Reference LMCM-42175-181P
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3-HYDROXYANDROST-5-EN-17-ONE (3R,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-3,4,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Wiley ID 4_430