CHEBI:34859 - mytatrienediol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name mytatrienediol
ChEBI ID CHEBI:34859
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C20H28O3
Net Charge 0
Average Mass 316.43452
Monoisotopic Mass 316.20384
InChI InChI=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
InChIKey OOVXZFCPCSVSEM-NADOGSGZSA-N
SMILES [H][C@]12CC[C@]3(C)[C@@H](O)[C@@](C)(O)C[C@@]3([H])[C@]1([H])CCc1cc(OC)ccc21
ChEBI Ontology
Outgoing 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 Sources
16beta-Hydroxy-16-methyl-3-methylether-17beta-estradiol KEGG COMPOUND
17-alpha-Methylestriol 3-methyl ether KEGG COMPOUND
Mytatrienediol KEGG COMPOUND
Manual Xref Database
C14242 KEGG COMPOUND
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Registry Number Type Source
5108-94-1 CAS Registry Number ChemIDplus
Last Modified
26 February 2007