EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79842 - 20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol

ChEBI IDCHEBI:79842
ChEBI Name20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol
Stars
DownloadsMolfile
FormulaC21H25F3O2
Net Charge0
Average Mass366.423
Monoisotopic Mass366.18066
SMILES[H][C@@]12CC[C@@](O)(C(F)=C(F)F)[C@@]1(C)CC[C@]1([H])c3ccc(OC)cc3CC[C@@]21[H]
InChIInChI=1S/C21H25F3O2/c1-20-9-7-15-14-6-4-13(26-2)11-12(14)3-5-16(15)17(20)8-10-21(20,25)18(22)19(23)24/h4,6,11,15-17,25H,3,5,7-10H2,1-2H3/t15-,16-,17+,20+,21-/m1/s1
InChIKeyAWUGBSODAQALNP-JPDLMGPVSA-N
ChEBI Ontology
Outgoing Relation(s)
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol (CHEBI:79842) has parent hydride pregnane (CHEBI:8386)
20,21,21-Trifluoro-3-methoxy-19-nor-17alpha-pregna-1,3,5(10),20-tetraen-17-ol (CHEBI:79842) is a steroid (CHEBI:35341)
Synonym  Source
17-(Trifluorovinyl)-3-(methyl ether)-17beta-estradiolKEGG COMPOUND
Manual XrefsDatabases
C15340KEGG COMPOUND