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17.BETA.-HYDROXY-5.ALPHA.-ESTRAN-3-ONE
SpectraBase Compound ID J9B04rvr1NK
InChI InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13-,14+,15+,16-,17-,18-/m0/s1
InChIKey RHVBIEJVJWNXBU-PNOKGRBDSA-N
Mol Weight 276.42 g/mol
Molecular Formula C18H28O2
Exact Mass 276.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Av2vjBGfaAG
Name 17.BETA.-HYDROXY-5.ALPHA.-ESTRAN-3-ONE
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 276.208930140 u
Formula C18H28O2
InChI InChI=1S/C18H28O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-17,20H,2-10H2,1H3/t11-,13-,14+,15+,16-,17-,18-/m0/s1
InChIKey RHVBIEJVJWNXBU-PNOKGRBDSA-N
Molecular Weight 276.420 g/mol
Nominal Mass 276 u
Number of Peaks 95
SMILES O[C@]1(CC[C@]2([C@@]3(CC[C@]4(CC(CC[C@@]4([C@]3(CC[C@]12C)[H])[H])=O)[H])[H])[H])[H]
SPLASH splash10-00or-9570000000-fbc09fb2535a99edab6d
Source File Reference LMCM-78769-928G
Source of Spectrum Prof. Spiteller, University Bayreuth, Germany
Synonyms 17-HYDROXYESTRAN-3-ONE (5S,8R,9R,10S,13S,14S,17S)-17-hydroxy-13-methyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
Wiley ID 4_488