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5.ALPHA.-ANDROSTAN-11.ALPHA.-OL-2,16-DIONE
SpectraBase Compound ID JzqmaQPo6jX
InChI InChI=1S/C19H28O3/c1-18-8-13(21)7-15(18)14-6-4-11-3-5-12(20)9-19(11,2)17(14)16(22)10-18/h11,14-17,22H,3-10H2,1-2H3/t11-,14+,15+,16-,17-,18+,19+/m1/s1
InChIKey BCJCQFNXRJPADZ-QSYSPQEQSA-N
Mol Weight 304.43 g/mol
Molecular Formula C19H28O3
Exact Mass 304.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DYbiRyRGIEU
Name 5.ALPHA.-ANDROSTAN-11.ALPHA.-OL-2,16-DIONE
CAS Registry Number 25846-33-7
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 304.203844759 u
Formula C19H28O3
InChI InChI=1S/C19H28O3/c1-18-8-13(21)7-15(18)14-6-4-11-3-5-12(20)9-19(11,2)17(14)16(22)10-18/h11,14-17,22H,3-10H2,1-2H3/t11-,14+,15+,16-,17-,18+,19+/m1/s1
InChIKey BCJCQFNXRJPADZ-QSYSPQEQSA-N
Molecular Weight 304.430 g/mol
Nominal Mass 304 u
Number of Peaks 132
SMILES O[C@@]1(C[C@@]2(CC(C[C@]2([C@@]2(CC[C@]3(CCC(C[C@@]3([C@@]12[H])C)=O)[H])[H])[H])=O)C)[H]
SPLASH splash10-00kr-9882000000-724ac2c6f5854546c940
Source File Reference LMCM-44496-850D
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms 11.ALPHA.-HYDROXY-5.ALPHA-ANDROSTANE-2,16-DIONE 11-HYDROXYANDROSTANE-2,16-DIONE (5S,8S,9S,10S,11R,13R,14S)-11-hydroxy-10,13-dimethyldodecahydro-1H-cyclopenta[a]phenanthrene-2,16(9H,10H)-dione
Wiley ID 4_858