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CHEBI:79517 - 3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol

ChEBI IDCHEBI:79517
ChEBI Name3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
Stars
DownloadsMolfile
FormulaC27H42O3
Net Charge0
Average Mass414.630
Monoisotopic Mass414.31340
SMILES[H][C@@]12CCc3cc(OC)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](O)[C@](O)(CCCCCCCC)C[C@@]21[H]
InChIInChI=1S/C27H42O3/c1-4-5-6-7-8-9-15-27(29)18-24-23-12-10-19-17-20(30-3)11-13-21(19)22(23)14-16-26(24,2)25(27)28/h11,13,17,22-25,28-29H,4-10,12,14-16,18H2,1-3H3/t22-,23-,24+,25-,26+,27+/m1/s1
InChIKeyOPESDBSJPSZDIT-PJZCFIFPSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79517) has parent hydride estrane (CHEBI:23966)
3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol (CHEBI:79517) is a steroid (CHEBI:35341)
Manual XrefsDatabases
C14994KEGG COMPOUND