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CHEBI:79456 - 16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol

ChEBI IDCHEBI:79456
ChEBI Name16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
Stars
DownloadsMolfile
FormulaC23H34O3
Net Charge0
Average Mass358.522
Monoisotopic Mass358.25079
SMILES[H][C@@]12CCc3cc(OC)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@](O)(CCCC)C[C@@]21[H]
InChIInChI=1S/C23H34O3/c1-4-5-11-23(25)14-20-19-8-6-15-13-16(26-3)7-9-17(15)18(19)10-12-22(20,2)21(23)24/h7,9,13,18-21,24-25H,4-6,8,10-12,14H2,1-3H3/t18-,19-,20+,21-,22+,23+/m1/s1
InChIKeyYGVYDWADHKYSHH-PZORDLPLSA-N
ChEBI Ontology
Outgoing Relation(s)
16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79456) has parent hydride estrane (CHEBI:23966)
16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79456) is a steroid (CHEBI:35341)
Manual XrefsDatabases
C14931KEGG COMPOUND