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CHEBI:34746 - Estradiol-17-phenylpropionate

ChEBI IDCHEBI:34746
ChEBI NameEstradiol-17-phenylpropionate
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H32O3
Net Charge0
Average Mass404.550
Monoisotopic Mass404.23514
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)CCc3ccccc3)CC[C@@]21[H]
InChIInChI=1S/C27H32O3/c1-27-16-15-22-21-11-9-20(28)17-19(21)8-10-23(22)24(27)12-13-25(27)30-26(29)14-7-18-5-3-2-4-6-18/h2-6,9,11,17,22-25,28H,7-8,10,12-16H2,1H3/t22-,23-,24+,25+,27+/m1/s1
InChIKeyLQWSQQKTZLDGME-RYIFMDQWSA-N
ChEBI Ontology
Outgoing Relation(s)
Estradiol-17-phenylpropionate (CHEBI:34746) is a steroid ester (CHEBI:47880)
Synonyms  Source
Estradiol-17-phenylpropionateKEGG COMPOUND
Estra-1,3,5(10)-triene-3,17beta-diol 17-benzenepropionateKEGG COMPOUND
Manual XrefsDatabases
C14645KEGG COMPOUND
Registry NumbersSources
CAS:26443-03-8KEGG COMPOUND