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CHEBI:79670 - 4,4-Difluoropregn-5-ene-3,20-dione

ChEBI IDCHEBI:79670
ChEBI Name4,4-Difluoropregn-5-ene-3,20-dione
Stars
Last Modified3 May 2017
DownloadsMolfile
FormulaC21H28F2O2
Net Charge0
Average Mass350.449
Monoisotopic Mass350.20574
SMILES[H][C@@]12CC=C3C(F)(F)C(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](C(C)=O)CC[C@@]21[H]
InChIInChI=1S/C21H28F2O2/c1-12(24)14-5-6-15-13-4-7-17-20(3,11-9-18(25)21(17,22)23)16(13)8-10-19(14,15)2/h7,13-16H,4-6,8-11H2,1-3H3/t13-,14+,15-,16-,19+,20+/m0/s1
InChIKeyOTTUKNSDVUSPGW-WOEIGVFJSA-N
ChEBI Ontology
Outgoing Relation(s)
4,4-Difluoropregn-5-ene-3,20-dione (CHEBI:79670) is a 3-oxo-Δ5-steroid (CHEBI:47907)
Manual XrefsDatabases
C15152KEGG COMPOUND