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5-ALPHA-ANDROSTANE-3,16-DIONE
SpectraBase Compound ID 70bCZYiGrlp
InChI InChI=1S/C19H28O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12,15-17H,3-11H2,1-2H3/t12-,15+,16-,17-,18+,19-/m0/s1
InChIKey HPGVUTVMDZKEBU-PMBYUEKTSA-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 6VH6rbJTq8Z
Name 5.ALPHA.-ANDROSTANE-3,16-DIONE
CAS Registry Number 1035-71-8
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 288.208930140 u
Formula C19H28O2
InChI InChI=1S/C19H28O2/c1-18-7-6-16-15(17(18)10-14(21)11-18)4-3-12-9-13(20)5-8-19(12,16)2/h12,15-17H,3-11H2,1-2H3/t12-,15+,16-,17-,18+,19-/m0/s1
InChIKey HPGVUTVMDZKEBU-PMBYUEKTSA-N
Molecular Weight 288.431 g/mol
Nominal Mass 288 u
Number of Peaks 129
SMILES C1(CC[C@@]2([C@]3(CC[C@@]4(CC(C[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])=O)C)[H])C)=O
SPLASH splash10-014r-1290000000-12db95b2190461885346
Source File Reference LMCM-32011-256A
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTANE-3,16-DIONE (5S,8S,9S,10S,13R,14S)-10,13-dimethyldodecahydro-1H-cyclopenta[a]phenanthrene-3,16(2H,4H)-dione
Wiley ID 4_2044