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CHEBI:79763 - estra-1,3,5(10)-triene-3,16β-diol

ChEBI IDCHEBI:79763
ChEBI Nameestra-1,3,5(10)-triene-3,16β-diol
Stars
ASCII Nameestra-1,3,5(10)-triene-3,16beta-diol
DefinitionA 3-hydroxy steroid that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 16.
Last Modified3 March 2015
DownloadsMolfile
FormulaC18H24O2
Net Charge0
Average Mass272.388
Monoisotopic Mass272.17763
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)C[C@@H](O)C[C@]12[H]
InChIInChI=1S/C18H24O2/c1-18-7-6-15-14-5-3-12(19)8-11(14)2-4-16(15)17(18)9-13(20)10-18/h3,5,8,13,15-17,19-20H,2,4,6-7,9-10H2,1H3/t13-,15+,16+,17-,18+/m0/s1
InChIKeyDVMAUGGKVWJBDV-IREHDKGXSA-N
ChEBI Ontology
Outgoing Relation(s)
estra-1,3,5(10)-triene-3,16β-diol (CHEBI:79763) has parent hydride estrane (CHEBI:23966)
estra-1,3,5(10)-triene-3,16β-diol (CHEBI:79763) is a 16β-hydroxy steroid (CHEBI:17354)
estra-1,3,5(10)-triene-3,16β-diol (CHEBI:79763) is a 3-hydroxy steroid (CHEBI:36834)
IUPAC Name 
estra-1,3,5(10)-triene-3,16β-diol
Synonyms  Source
16beta-EstradiolKEGG COMPOUND
Estradiol-16ChemIDplus
Manual XrefsDatabases
C15261KEGG COMPOUND
Registry NumbersSources
Reaxys:3207293Reaxys
CAS:1090-04-6ChemIDplus