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CHEBI:62848 - 11β-hydroxy-17β-estradiol

ChEBI IDCHEBI:62848
ChEBI Name11β-hydroxy-17β-estradiol
Stars
ASCII Name11beta-hydroxy-17beta-estradiol
DefinitionA 4-hydroxy steroid that consists of 17β-estradiol bearing an additional 11β-hydroxy substituent.
Last Modified2 September 2011
SubmitterSteve
DownloadsMolfile
FormulaC18H24O3
Net Charge0
Average Mass288.387
Monoisotopic Mass288.17254
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])[C@@H](O)C[C@]1(C)[C@@H](O)CC[C@@]21[H]
InChIInChI=1S/C18H24O3/c1-18-9-15(20)17-12-5-3-11(19)8-10(12)2-4-13(17)14(18)6-7-16(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15-,16-,17+,18-/m0/s1
InChIKeyIGPOPFXCSGWCLM-FRMKIJSPSA-N
ChEBI Ontology
Outgoing Relation(s)
11β-hydroxy-17β-estradiol (CHEBI:62848) has functional parent 17β-estradiol (CHEBI:16469)
11β-hydroxy-17β-estradiol (CHEBI:62848) is a 11β-hydroxy steroid (CHEBI:35346)
IUPAC Name 
estra-1,3,5(10)-triene-3,11β,17β-triol
Synonyms  Source
11β-hydroxyestradiolChEBI
oestra-1,3,5(10)-triene-3,11β,17β-triolChEBI
Registry NumbersSources
Reaxys:3210438Reaxys
CAS:5444-22-4Reaxys
Citations