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5-ALPHA-ANDROSTAN-6-ONE
SpectraBase Compound ID 7o7Fb0JrGWE
InChI InChI=1S/C19H30O/c1-18-9-5-7-14(18)13-12-17(20)16-6-3-4-10-19(16,2)15(13)8-11-18/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16+,18-,19+/m0/s1
InChIKey XWCQCIXHSIXOAW-IJPPCXMXSA-N
Mol Weight 274.45 g/mol
Molecular Formula C19H30O
Exact Mass 274.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYPIw4bY9LI
Name 5.ALPHA.-ANDROSTAN-6-ONE
CAS Registry Number 3676-06-0
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 274.229665585 u
Formula C19H30O
InChI InChI=1S/C19H30O/c1-18-9-5-7-14(18)13-12-17(20)16-6-3-4-10-19(16,2)15(13)8-11-18/h13-16H,3-12H2,1-2H3/t13-,14-,15-,16+,18-,19+/m0/s1
InChIKey XWCQCIXHSIXOAW-IJPPCXMXSA-N
Molecular Weight 274.448 g/mol
Nominal Mass 274 u
Number of Peaks 71
SMILES C1CC[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CC([C@]2(C1)[H])=O)[H])[H])C)[H])C
SPLASH splash10-0a4i-0190000000-332bbec1b0c68e0d6e64
Source File Reference LMCM-76921-795D
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-6-ONE (5S,8S,9S,10R,13S,14S)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-6(10H)-one
Wiley ID 4_2924