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5α-Androstan-3,17-dione
SpectraBase Compound ID LlKVX9IEII5
InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
InChIKey RAJWOBJTTGJROA-WZNAKSSCSA-N
Mol Weight 288.43 g/mol
Molecular Formula C19H28O2
Exact Mass 288.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4rEEWE2aWfZ
Name 5.ALPHA.-ANDROSTANE-3,17-DIONE
CAS Registry Number 846-46-8
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-16H,3-11H2,1-2H3/t12-,14-,15-,16-,18-,19-/m0/s1
InChIKey RAJWOBJTTGJROA-WZNAKSSCSA-N
Molecular Weight 288.431 g/mol
Nominal Mass 288 u
Number of Peaks 116
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])=O)C)[H])C)=O
SPLASH splash10-000i-4490000000-24c2939728e6234bc12f
Source File Reference LMCM-49588-652X
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTANE-3,17-DIONE, (5.ALPHA.)- ANDROSTANE-3,17-DIONE (5S,8R,9S,10S,13S,14S)-10,13-dimethyldodecahydro-1H-cyclopenta[a]phenanthrene-3,17(2H,4H)-dione
Wiley ID 4_2022