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5-ALPHA-ANDROSTAN-2-ONE
SpectraBase Compound ID 8OiRZJP3opq
InChI InChI=1S/C19H30O/c1-18-10-3-4-16(18)15-8-6-13-5-7-14(20)12-19(13,2)17(15)9-11-18/h13,15-17H,3-12H2,1-2H3/t13-,15+,16+,17+,18+,19+/m1/s1
InChIKey ROVSAVJEBQAVFO-PFFQMSPKSA-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 8HDZMxlvavt
Name 5.ALPHA.-ANDROSTAN-2-ONE
CAS Registry Number 1225-48-5
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 274.229665585 u
Formula C19H30O
InChI InChI=1S/C19H30O/c1-18-10-3-4-16(18)15-8-6-13-5-7-14(20)12-19(13,2)17(15)9-11-18/h13,15-17H,3-12H2,1-2H3/t13-,15+,16+,17+,18+,19+/m1/s1
InChIKey ROVSAVJEBQAVFO-PFFQMSPKSA-N
Molecular Weight 274.448 g/mol
Nominal Mass 274 u
Number of Peaks 66
SMILES C1C(C[C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])C)[H])C)=O
SPLASH splash10-014i-0290000000-be6b57ce681472b7f99e
Source File Reference LMCM-94165-216L
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-2-ONE (5S,8S,9S,10S,13S,14S)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-2(10H)-one
Wiley ID 4_601