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5.ALPHA.-ANDROSTANE-3.ALPHA.,6.ALPHA.,17.BETA.-TRIOL
SpectraBase Compound ID 105bZaYWTGE
InChI InChI=1S/C19H32O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12+,13+,14+,15-,16+,17+,18-,19+/m1/s1
InChIKey OFAZPSYXUKIJIK-DKHPEDBXSA-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 ItE6sayoCXw
Name 5.ALPHA.-ANDROSTANE-3.ALPHA.,6.ALPHA.,17.BETA.-TRIOL
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 308.235144887 u
Formula C19H32O3
InChI InChI=1S/C19H32O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h11-17,20-22H,3-10H2,1-2H3/t11-,12+,13+,14+,15-,16+,17+,18-,19+/m1/s1
InChIKey OFAZPSYXUKIJIK-DKHPEDBXSA-N
Molecular Weight 308.462 g/mol
Nominal Mass 308 u
Number of Peaks 132
SMILES O[C@]1(C[C@]2([C@@]3(CC[C@@]([C@]3(CC[C@@]2([C@]2(CC[C@](C[C@]12[H])(O)[H])C)[H])C)(O)[H])[H])[H])[H]
SPLASH splash10-0006-9660000000-38a17f119305504bfd38
Source File Reference LMCM-16801-600F
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3.ALPHA.,6.ALPHA.,17.BETA.-TRIHYDROXY-5.ALPHA.-ANDROSTANE ANDROSTANE-3,6,17-TRIOL (3R,5S,6S,8R,9S,10R,13S,14S,17S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,6,17-triol
Wiley ID 4_85