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CHEBI:79631 - 4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate

ChEBI IDCHEBI:79631
ChEBI Name4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate
Stars
Last Modified3 May 2017
DownloadsMolfile
FormulaC22H30F2O3
Net Charge0
Average Mass380.475
Monoisotopic Mass380.21630
SMILES[H][C@@]12CC=C3C(F)(F)C(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)CC)CC[C@@]21[H]
InChIInChI=1S/C22H30F2O3/c1-4-19(26)27-18-8-6-14-13-5-7-16-20(2,12-10-17(25)22(16,23)24)15(13)9-11-21(14,18)3/h7,13-15,18H,4-6,8-12H2,1-3H3/t13-,14-,15-,18-,20+,21-/m0/s1
InChIKeyDKDJANJTCFHPPK-KUJXMBTLSA-N
ChEBI Ontology
Outgoing Relation(s)
4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate (CHEBI:79631) is a 3-oxo-Δ5-steroid (CHEBI:47907)
4,4-Difluoro-17beta-hydroxyandrost-5-en-3-one propionate (CHEBI:79631) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C15112KEGG COMPOUND