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CHEBI:79764 - 3-methoxyestra-1,3,5(10)-trien-16β-ol

ChEBI IDCHEBI:79764
ChEBI Name3-methoxyestra-1,3,5(10)-trien-16β-ol
Stars
ASCII Name3-methoxyestra-1,3,5(10)-trien-16beta-ol
DefinitionA 16β-hydroxy steroid that is estra-1,3,5(10)-trien-16β-ol substituted by a methoxy group at position 3.
Last Modified3 March 2015
DownloadsMolfile
FormulaC19H26O2
Net Charge0
Average Mass286.415
Monoisotopic Mass286.19328
SMILES[H][C@@]12CCc3cc(OC)ccc3[C@@]1([H])CC[C@]1(C)C[C@@H](O)C[C@]12[H]
InChIInChI=1S/C19H26O2/c1-19-8-7-16-15-6-4-14(21-2)9-12(15)3-5-17(16)18(19)10-13(20)11-19/h4,6,9,13,16-18,20H,3,5,7-8,10-11H2,1-2H3/t13-,16+,17+,18-,19+/m0/s1
InChIKeySLNMIOMHGWEGBR-QHWILLEASA-N
ChEBI Ontology
Outgoing Relation(s)
3-methoxyestra-1,3,5(10)-trien-16β-ol (CHEBI:79764) has parent hydride estrane (CHEBI:23966)
3-methoxyestra-1,3,5(10)-trien-16β-ol (CHEBI:79764) is a 16β-hydroxy steroid (CHEBI:17354)
IUPAC Name 
3-methoxyestra-1,3,5(10)-trien-16β-ol
Synonym  Source
16beta-Estradiol-3-methyl etherKEGG COMPOUND
Manual XrefsDatabases
C15262KEGG COMPOUND
Registry NumbersSources
Reaxys:3143665Reaxys
CAS:1229-33-0ChemIDplus