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3,11-Dihydroxyandrostan-17-one
SpectraBase Compound ID J4hirZSxUqJ
InChI InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,17-,18+,19+/m1/s1
InChIKey PIXFHVWJOVNKQK-DVGQRDSXSA-N
Mol Weight 306.45 g/mol
Molecular Formula C19H30O3
Exact Mass 306.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E4fiDlyHAtc
Name 3.BETA.,11.BETA.-DIHYDROXY-5.BETA.-ANDROSTAN-17-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 306.219494823 u
Formula C19H30O3
InChI InChI=1S/C19H30O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h11-15,17,20-21H,3-10H2,1-2H3/t11-,12+,13+,14+,15+,17-,18+,19+/m1/s1
InChIKey PIXFHVWJOVNKQK-DVGQRDSXSA-N
Molecular Weight 306.446 g/mol
Nominal Mass 306 u
Number of Peaks 132
SMILES O[C@@]1([C@@]2([C@]3(CC[C@@](C[C@]3(CC[C@]2([C@@]2(CCC([C@]2(C1)C)=O)[H])[H])[H])(O)[H])C)[H])[H]
SPLASH splash10-0a4i-8942000000-418dd529e456cd0ca6fe
Source File Reference LMCM-23315-432K
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3,11-DIHYDROXYANDROSTAN-17-ONE (3S,5R,8S,9S,10S,11S,13S,14S)-3,11-dihydroxy-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Wiley ID 4_434