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5-ALPHA-ANDROSTAN-12-ONE
SpectraBase Compound ID FqRsJVhpg3e
InChI InChI=1S/C19H30O/c1-18-10-4-3-6-13(18)8-9-14-15-7-5-11-19(15,2)17(20)12-16(14)18/h13-16H,3-12H2,1-2H3/t13-,14+,15+,16+,18+,19-/m1/s1
InChIKey LWXOJHQGSSXCSH-JAOLZEGWSA-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 DsfiBobGAe4
Name 5.ALPHA.-ANDROSTAN-12-ONE
CAS Registry Number 3676-09-3
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 274.229665585 u
Formula C19H30O
InChI InChI=1S/C19H30O/c1-18-10-4-3-6-13(18)8-9-14-15-7-5-11-19(15,2)17(20)12-16(14)18/h13-16H,3-12H2,1-2H3/t13-,14+,15+,16+,18+,19-/m1/s1
InChIKey LWXOJHQGSSXCSH-JAOLZEGWSA-N
Molecular Weight 274.448 g/mol
Nominal Mass 274 u
Number of Peaks 77
SMILES C1CC[C@@]2([C@]3(CC([C@@]4(CCC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])C)=O)[H])C
SPLASH splash10-0abc-1390000000-1c321dd408413f3da15a
Source File Reference LMCM-76646-886U
Source of Spectrum Dr. Makin, London Hospital Medical College, UK
Synonyms ANDROSTAN-12-ONE (5R,8R,9S,10S,13R,14S)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-12(2H)-one
Wiley ID 4_2880