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17.BETA.-HYDROXY-17.ALPHA.-PREGNAN-4-ENE-3-ONE
SpectraBase Compound ID L5zYAgH0D5C
InChI InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h13,16-18,23H,4-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
InChIKey FGPGANCDNDLUST-CEGNMAFCSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYDCoroTiRi
Name 17.BETA.-HYDROXY-17.ALPHA.-PREGNAN-4-ENE-3-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 316.240230268 u
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h13,16-18,23H,4-12H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1
InChIKey FGPGANCDNDLUST-CEGNMAFCSA-N
Molecular Weight 316.485 g/mol
Nominal Mass 316 u
Number of Peaks 90
SMILES O[C@]1(CC[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])CC
SPLASH splash10-014i-8967000000-e124e476043b8cb36e5a
Source File Reference LMCM-94093-366A
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 17-HYDROXYPREGN-4-EN-3-ONE (8R,9S,10R,13S,14S,17S)-17-ethyl-17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_263