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Androst-5-ene-3,17-diol
SpectraBase Compound ID 9LGsF0JN6tb
InChI InChI=1S/C19H30O2/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/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1
InChIKey QADHLRWLCPCEKT-SLMGBJJTSA-N
Mol Weight 290.45 g/mol
Molecular Formula C19H30O2
Exact Mass 290.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdPW4Pyfqv0
Name ANDROST-5-ENE-3.BETA.,17.ALPHA.-DIOL
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 290.224580204 u
Formula C19H30O2
InChI InChI=1S/C19H30O2/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/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17+,18-,19-/m0/s1
InChIKey QADHLRWLCPCEKT-SLMGBJJTSA-N
Molecular Weight 290.447 g/mol
Nominal Mass 290 u
Number of Peaks 126
SMILES O[C@]1([C@]2(CC[C@@]3([C@]4(CC[C@@](CC4=CC[C@]3([C@@]2(CC1)[H])[H])(O)[H])C)[H])C)[H]
SPLASH splash10-0a4l-5960000000-ce539f25b516e068d9f6
Source File Reference LMCM-66196-813M
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3.BETA.,17.ALPHA.-DIHYDROXY-ANDROST-5-ENE ANDROST-5-ENE-3,17-DIOL (3S,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 4_473