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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol
ChEBI ID CHEBI:79456
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C23H34O3
Net Charge 0
Average Mass 358.51430
Monoisotopic Mass 358.25079
InChI InChI=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
InChIKey YGVYDWADHKYSHH-PZORDLPLSA-N
SMILES CCCC[C@]1(O)C[C@H]2[C@@H]3CCc4cc(OC)ccc4[C@H]3CC[C@]2(C)[C@H]1O
ChEBI Ontology
Outgoing 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 Xref Database
C14931 KEGG COMPOUND
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