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5-ALPHA-ANDROSTAN-1-ONE
SpectraBase Compound ID Hs3Rzjpj6no
InChI InChI=1S/C19H30O/c1-18-11-4-6-15(18)14-9-8-13-5-3-7-17(20)19(13,2)16(14)10-12-18/h13-16H,3-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKey PJRSESMLRXNKTQ-HKQXQEGQSA-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 N815CBzGa
Name 5.ALPHA.-ANDROSTAN-1-ONE
CAS Registry Number 1755-29-9
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 274.229665585 u
Formula C19H30O
InChI InChI=1S/C19H30O/c1-18-11-4-6-15(18)14-9-8-13-5-3-7-17(20)19(13,2)16(14)10-12-18/h13-16H,3-12H2,1-2H3/t13-,14+,15+,16+,18+,19+/m1/s1
InChIKey PJRSESMLRXNKTQ-HKQXQEGQSA-N
Molecular Weight 274.448 g/mol
Nominal Mass 274 u
Number of Peaks 70
SMILES C1CC([C@@]2([C@]3(CC[C@@]4(CCC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])C)[H])C)=O
SPLASH splash10-0a4i-0290000000-5911910bde4fbcae6037
Source File Reference LMCM-58766-721N
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-1-ONE (5R,8S,9S,10S,13S,14S)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-1-one
Wiley ID 4_656