CHEBI:79756 - 3-(allyloxy)estra-1,3,5(10)-triene-16α,17β-diol

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ChEBI Name 3-(allyloxy)estra-1,3,5(10)-triene-16α,17β-diol
ChEBI ID CHEBI:79756
ChEBI ASCII Name 3-(allyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol
Definition A 16α-hydroxy steroid that is estriol in which the hydroxy group at position 3 is replaced by an allyloxy group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C21H28O3
Net Charge 0
Average Mass 328.44520
Monoisotopic Mass 328.20384
InChI InChI=1S/C21H28O3/c1-3-10-24-14-5-7-15-13(11-14)4-6-17-16(15)8-9-21(2)18(17)12-19(22)20(21)23/h3,5,7,11,16-20,22-23H,1,4,6,8-10,12H2,2H3/t16-,17-,18+,19-,20+,21+/m1/s1
InChIKey GVKVGOGUDSJCLX-YQPXSLGVSA-N
SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(OCC=C)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O
ChEBI Ontology
Outgoing 3-(allyloxy)estra-1,3,5(10)-triene-16α,17β-diol (CHEBI:79756) has functional parent estriol (CHEBI:27974)
3-(allyloxy)estra-1,3,5(10)-triene-16α,17β-diol (CHEBI:79756) has parent hydride estrane (CHEBI:23966)
3-(allyloxy)estra-1,3,5(10)-triene-16α,17β-diol (CHEBI:79756) is a 16α-hydroxy steroid (CHEBI:16799)
3-(allyloxy)estra-1,3,5(10)-triene-16α,17β-diol (CHEBI:79756) is a 17β-hydroxy steroid (CHEBI:35343)
IUPAC Name
3-(prop-2-en-1-yloxy)estra-1,3,5(10)-triene-16α,17β-diol
Synonyms Sources
3-(2-Propenyloxy)estra-1,3,5(10)-triene-16alpha,17beta-diol KEGG COMPOUND
3-Allyloxyestriol KEGG COMPOUND
Manual Xref Database
C15254 KEGG COMPOUND
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Registry Numbers Types Sources
10448-94-9 CAS Registry Number ChemIDplus
21856571 Reaxys Registry Number Reaxys
Last Modified
03 March 2015