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CHEBI:79593 - 17alpha-Chloroethynylestradiol

ChEBI IDCHEBI:79593
ChEBI Name17alpha-Chloroethynylestradiol
Stars
Last Modified20 January 2015
DownloadsMolfile
FormulaC20H23ClO2
Net Charge0
Average Mass330.855
Monoisotopic Mass330.13866
SMILES[H][C@@]12CC[C@@](O)(C#CCl)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
InChIInChI=1S/C20H23ClO2/c1-19-8-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(19)7-9-20(19,23)10-11-21/h3,5,12,16-18,22-23H,2,4,6-9H2,1H3/t16-,17-,18+,19+,20-/m1/s1
InChIKeyRGENIWJSHAAOMP-SWBPCFCJSA-N
ChEBI Ontology
Outgoing Relation(s)
17alpha-Chloroethynylestradiol (CHEBI:79593) is a 3-hydroxy steroid (CHEBI:36834)
Synonym  Source
21-Chloro-19-nor-17alpha-pregna-1,3,5(10)-trien-20-yne-3,17-diolKEGG COMPOUND
Manual XrefsDatabases
C15073KEGG COMPOUND