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ANDROST-4-ENE-3.ALPHA.,17.BETA.-DIOL
SpectraBase Compound ID F3gHD920BCZ
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/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey BTTWKVFKBPAFDK-KYQPOWKGSA-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 16hTpg8NPgc
Name ANDROST-4-ENE-3.ALPHA.,17.BETA.-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/h11,13-17,20-21H,3-10H2,1-2H3/t13-,14+,15+,16+,17+,18+,19+/m1/s1
InChIKey BTTWKVFKBPAFDK-KYQPOWKGSA-N
Molecular Weight 290.447 g/mol
Nominal Mass 290 u
Number of Peaks 106
SMILES O[C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@](C=C4CC[C@]3([C@@]2(CC1)[H])[H])(O)[H])C)[H])C)[H]
SPLASH splash10-0006-9770000000-db659fbc97c056f5f086
Source File Reference LMCM-53533-003G
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3.ALPHA.,17.BETA.-DIHYDROXY-ANDROST-4-ENE ANDROST-4-ENE-3,17-DIOL (3R,8R,9S,10R,13S,14S,17S)-10,13-dimethyl-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
Wiley ID 4_507