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3α-hydroxy-5β-androstane-11,17-dione
SpectraBase Compound ID 6Kc1Bd62Fl2
InChI InChI=1S/C19H28O3/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/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1
InChIKey IUNYGQONJQTULL-UKZLPJRTSA-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 I7MPdo83uiv
Name 3.ALPHA.-HYDROXY-5.BETA.-ANDROSTAN-11,17-DIONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 304.203844759 u
Formula C19H28O3
InChI InChI=1S/C19H28O3/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/h11-14,17,20H,3-10H2,1-2H3/t11-,12-,13+,14+,17-,18+,19+/m1/s1
InChIKey IUNYGQONJQTULL-UKZLPJRTSA-N
Molecular Weight 304.430 g/mol
Nominal Mass 304 u
Number of Peaks 136
SMILES O[C@@]1(CC[C@@]2([C@]3(C(C[C@@]4(C(CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])=O)C)=O)[H])C)[H]
SPLASH splash10-0f7o-6931000000-701fd13099f20e8d67fd
Source File Reference LMCM-48107-512D
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 3-HYDROXYANDROSTANE-11,17-DIONE (3R,5R,8S,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyldodecahydro-1H-cyclopenta[a]phenanthrene-11,17(2H,9H)-dione
Wiley ID 4_444