CHEBI:79815 - 3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one
ChEBI ID CHEBI:79815
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H26O5
Net Charge 0
Average Mass 370.43880
Monoisotopic Mass 370.17802
InChI InChI=1S/C22H26O5/c1-12(23)26-14-4-5-15-16-8-9-22(3)19(6-7-21(22)27-13(2)24)17(16)11-20(25)18(15)10-14/h4-5,10,16-17,19,21H,6-9,11H2,1-3H3/t16-,17-,19+,21+,22+/m1/s1
InChIKey REXFWMANWYNMPV-AJYQEWAOSA-N
SMILES CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)c4cc(OC(C)=O)ccc4[C@H]3CC[C@]12C
ChEBI Ontology
Outgoing 3,17beta-Diacetoxyestra-1,3,5(10)-trien-6-one (CHEBI:79815) is a steroid ester (CHEBI:47880)
Synonyms Sources
3,17beta-Dihydroxyestra-1,3,5(10)-trien-6-one diacetate KEGG COMPOUND
6-Oxo-17beta-estradiol diacetate KEGG COMPOUND
Manual Xref Database
C15313 KEGG COMPOUND
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