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CHEBI:135719 - estradiol undecylate

ChEBI IDCHEBI:135719
ChEBI Nameestradiol undecylate
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC29H44O3
Net Charge0
Average Mass440.668
Monoisotopic Mass440.32905
SMILES[H][C@@]12CCc3cc(O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)CCCCCCCCCC)CC[C@@]21[H]
InChIInChI=1S/C29H44O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h13,15,20,24-27,30H,3-12,14,16-19H2,1-2H3/t24-,25-,26+,27+,29+/m1/s1
InChIKeyTXHUMRBWIWWBGW-GVGNIZHQSA-N
ChEBI Ontology
Outgoing Relation(s)
estradiol undecylate (CHEBI:135719) is a steroid ester (CHEBI:47880)
Synonym  Source
oestradiol undecylateDrugCentral
Manual XrefsDatabases
1063DrugCentral
Registry NumbersSources
CAS:3571-53-7DrugCentral