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CHEBI:34171 - 16alpha-Bromo-17beta-estradiol

ChEBI IDCHEBI:34171
ChEBI Name16alpha-Bromo-17beta-estradiol
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC18H23BrO2
Net Charge0
Average Mass351.284
Monoisotopic Mass350.08814
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@H](Br)C[C@@]21[H]
InChIInChI=1S/C18H23BrO2/c1-18-7-6-13-12-5-3-11(20)8-10(12)2-4-14(13)15(18)9-16(19)17(18)21/h3,5,8,13-17,20-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1
InChIKeyICCJJRSEGGYXMX-ZXXIGWHRSA-N
ChEBI Ontology
Outgoing Relation(s)
16alpha-Bromo-17beta-estradiol (CHEBI:34171) is a 3-hydroxy steroid (CHEBI:36834)
Synonyms  Source
16alpha-Bromo-17beta-estradiolKEGG COMPOUND
16alpha-Bromo-1,3,5(10)-estratriene-3,17beta-diolKEGG COMPOUND
Manual XrefsDatabases
C14731KEGG COMPOUND
Registry NumbersSources
CAS:54982-79-5KEGG COMPOUND