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CHEBI:42500 - (17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL

Default Structure
ChEBI IDCHEBI:42500
ChEBI Name(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC27H29F3O2
Net Charge0
Average Mass442.521
Monoisotopic Mass442.21196
SMILES[H]Oc1c([H])c([H])c2c(c1[H])C([H])([H])C([H])([H])[C@@]1([H])[C@]3([H])C([H])([H])C([H])([H])[C@@](O[H])(/C([H])=C(\[H])c4c([H])c([H])c([H])c([H])c4C(F)(F)F)[C@@]3(C([H])([H])[H])C([H])([H])C([H])([H])[C@]21[H]
InChIInChI=1S/C27H29F3O2/c1-25-13-11-21-20-9-7-19(31)16-18(20)6-8-22(21)24(25)12-15-26(25,32)14-10-17-4-2-3-5-23(17)27(28,29)30/h2-5,7,9-10,14,16,21-22,24,31-32H,6,8,11-13,15H2,1H3/b14-10+/t21-,22-,24+,25+,26+/m1/s1
InChIKeyWSMPLUQFTPBNJI-NYFISDDFSA-N
ChEBI Ontology
Outgoing Relation(s)
(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOL (CHEBI:42500) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(14beta,17alpha)-17-{(E)-2-[2-(trifluoromethyl)phenyl]ethenyl}estra-1(10),2,4-triene-3,17-diolPDBeChem
(17BETA)-17-{(E)-2-[2-(TRIFLUOROMETHYL)PHENYL]VINYL}ESTRA-1(10),2,4-TRIENE-3,17-DIOLPDBeChem
Manual XrefsDatabases
EZTPDBeChem