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Androstane-3,16,17-triol
SpectraBase Compound ID 3VyxivUW79p
InChI InChI=1S/C19H32O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
InChIKey CXGDRQWRJUSSAR-KMDKCDOHSA-N
Mol Weight 308.5 g/mol
Molecular Formula C19H32O3
Exact Mass 308.235145 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4zD5kPeok0X
Name 5.ALPHA.-ANDROSTAN-3.BETA.,16.BETA.,17.BETA.-TRIOL
Copyright Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 308.235144887 u
Formula C19H32O3
InChI InChI=1S/C19H32O3/c1-18-7-5-12(20)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(21)17(19)22/h11-17,20-22H,3-10H2,1-2H3/t11-,12-,13+,14-,15-,16-,17-,18-,19-/m0/s1
InChIKey CXGDRQWRJUSSAR-KMDKCDOHSA-N
Molecular Weight 308.462 g/mol
Nominal Mass 308 u
Number of Peaks 134
SMILES O[C@@]1([C@@]([C@]2(CC[C@@]3([C@]4(CC[C@@](C[C@@]4(CC[C@]3([C@@]2(C1)[H])[H])[H])(O)[H])C)[H])C)(O)[H])[H]
SPLASH splash10-0a4l-9861000000-72ef3d87c8f60ece2c85
Source File Reference LMCM-65906-212M
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms ANDROSTANE-3,16,17-TRIOL (3S,5S,8R,9S,10S,13S,14S,16S,17R)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,16,17-triol
Wiley ID 4_517