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Concept information

... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > 3-oxo-delta(4) steroid > 9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > 3-oxo steroid > 3-oxo-delta(4) steroid > 9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 3-oxo steroid > 3-oxo-delta(4) steroid > 9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 20-oxo steroid > 9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione
... > organooxygen compound > carbonyl compound > ketone > oxo steroid > 11-oxo steroid > 9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione

Preferred term

9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C22H29FO3

has_functional_parent

has_parent_hydride

inchi

  • InChI=1S/C22H29FO3/c1-12-10-21(4)14(9-18(12)25)5-6-17-16-8-7-15(13(2)24)20(16,3)11-19(26)22(17,21)23/h9,12,15-17H,5-8,10-11H2,1-4H3/t12-,15-,16+,17+,20-,21+,22+/m1/s1

inchikey

  • CCIHHCZWSDAQGO-ROXMKHFISA-N

mass

  • 360.46230

monoisotopicmass

  • 360.21007

smiles

  • C[C@@H]1C[C@@]2(C)C(CC[C@H]3[C@@H]4CC[C@H](C(C)=O)[C@@]4(C)CC(=O)[C@]23F)=CC1=O

subset

  • 3_STAR

synonym EXACT

  • 9-fluoro-2alpha-methylpregn-4-ene-3,11,20-trione

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:79773

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