EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:79479 - 17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate

ChEBI IDCHEBI:79479
ChEBI Name17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Stars
DownloadsMolfile
FormulaC22H28O3S
Net Charge0
Average Mass372.530
Monoisotopic Mass372.17592
SMILES[H][C@@]12CCc3cc(OC(C)=O)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](SC(C)=O)CC[C@@]21[H]
InChIInChI=1S/C22H28O3S/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,12,18-21H,4,6,8-11H2,1-3H3/t18-,19-,20+,21+,22+/m1/s1
InChIKeyRVOGPLZAOZWWPL-AANPDWTMSA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate (CHEBI:79479) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C14955KEGG COMPOUND