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CHEBI:34859 - mytatrienediol

ChEBI IDCHEBI:34859
ChEBI Namemytatrienediol
Stars
Last Modified26 February 2007
DownloadsMolfile
FormulaC20H28O3
Net Charge0
Average Mass316.441
Monoisotopic Mass316.20384
SMILES[H][C@@]12CCc3cc(OC)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@@](C)(O)C[C@@]21[H]
InChIInChI=1S/C20H28O3/c1-19-9-8-15-14-7-5-13(23-3)10-12(14)4-6-16(15)17(19)11-20(2,22)18(19)21/h5,7,10,15-18,21-22H,4,6,8-9,11H2,1-3H3/t15-,16-,17+,18-,19+,20+/m1/s1
InChIKeyOOVXZFCPCSVSEM-NADOGSGZSA-N
ChEBI Ontology
Outgoing Relation(s)
mytatrienediol (CHEBI:34859) has parent hydride estrane (CHEBI:23966)
mytatrienediol (CHEBI:34859) is a 16β-hydroxy steroid (CHEBI:17354)
mytatrienediol (CHEBI:34859) is a 17β-hydroxy steroid (CHEBI:35343)
IUPAC Name 
3-methoxy-16-methylestra-1,3,5(10)-triene-16β,17β-diol
Synonyms  Source
MytatrienediolKEGG COMPOUND
17-alpha-Methylestriol 3-methyl etherKEGG COMPOUND
16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiolKEGG COMPOUND
Manual XrefsDatabases
C14242KEGG COMPOUND
Registry NumbersSources
CAS:5108-94-1KEGG COMPOUND
CAS:5108-94-1ChemIDplus