CHEBI:62850 - 6,7-didehydro-17β-estradiol

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ChEBI Name 6,7-didehydro-17β-estradiol ChEBI ID CHEBI:62850 ChEBI ASCII Name 6,7-didehydro-17beta-estradiol Definition A 3-hydroxy steroid that is obtained by formal dehydrogenation across positions 6 and 7 of 17β-estradiol. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H22O2 Net Charge 0 Average Mass 270.36610 Monoisotopic Mass 270.16198 InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,14-17,19-20H,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 InChIKey VVLCELUSWGWMSW-ZBRFXRBCSA-N SMILES [H][C@]12CC[C@]3(C)[C@@H](O)CC[C@@]3([H])[C@]1([H])C=Cc1cc(O)ccc21 ChEBI Ontology Outgoing 6,7-didehydro-17β-estradiol (CHEBI:62850) has parent hydride androstane (CHEBI:35509) 6,7-didehydro-17β-estradiol (CHEBI:62850) is a 17β-hydroxy steroid (CHEBI:35343) 6,7-didehydro-17β-estradiol (CHEBI:62850) is a 3-hydroxy steroid (CHEBI:36834) IUPAC Name estra-1(10),2,4,6-tetraene-3,17β-diol Synonyms Sources 6-dehydro-17β-estradiol ChEBI 6-Dehydroestradiol KEGG COMPOUND Estra-1,3,5(10),6-tetraen-3,17beta-diol KEGG COMPOUND Estra-1,3,5(10),6-tetraene-3,17-diol ChemIDplus oestra-1(10),2,4,6-tetraene-3,17β-diol ChEBI Manual Xref Database C14590 KEGG COMPOUND View more database links Registry Numbers Types Sources 3138222 Reaxys Registry Number Reaxys 7291-41-0 CAS Registry Number ChemIDplus Citations Types Sources 11812141 PubMed citation Europe PMC 17110114 PubMed citation Europe PMC 18754381 PubMed citation Europe PMC 9357533 PubMed citation Europe PMC Last Modified 28 July 2014