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CHEBI:79471 - 17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate

ChEBI IDCHEBI:79471
ChEBI Name17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate
Stars
DownloadsMolfile
FormulaC25H34O4
Net Charge0
Average Mass398.543
Monoisotopic Mass398.24571
SMILES[H][C@@]12CC[C@](CCC)(OC(C)=O)[C@@]1(C)CC[C@]1([H])c3ccc(OC(C)=O)cc3CC[C@@]21[H]
InChIInChI=1S/C25H34O4/c1-5-12-25(29-17(3)27)14-11-23-22-8-6-18-15-19(28-16(2)26)7-9-20(18)21(22)10-13-24(23,25)4/h7,9,15,21-23H,5-6,8,10-14H2,1-4H3/t21-,22-,23+,24+,25+/m1/s1
InChIKeyLQDKHUPZQHCHDD-VAFBSOEGSA-N
ChEBI Ontology
Outgoing Relation(s)
17-Propylestra-1,3,5(10)-triene-3,17beta-diol diacetate (CHEBI:79471) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C14947KEGG COMPOUND