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

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ChEBI Name 3-Methoxy-16-octylestra-1,3,5(10)-triene-16beta,17beta-diol
ChEBI ID CHEBI:79517
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C27H42O3
Net Charge 0
Average Mass 414.62060
Monoisotopic Mass 414.31340
InChI InChI=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
InChIKey OPESDBSJPSZDIT-PJZCFIFPSA-N
SMILES CCCCCCCC[C@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)[C@H]1O
ChEBI Ontology
Outgoing 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 Xref Database
C14994 KEGG COMPOUND
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