EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79498 - 3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate

ChEBI IDCHEBI:79498
ChEBI Name3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate
Stars
DownloadsMolfile
FormulaC22H30O4
Net Charge0
Average Mass358.478
Monoisotopic Mass358.21441
SMILES[H][C@@]12CCc3cc(OC)ccc3[C@@]1([H])CC[C@]1(C)[C@@H](OC(C)=O)[C@@](C)(O)C[C@@]21[H]
InChIInChI=1S/C22H30O4/c1-13(23)26-20-21(2)10-9-17-16-8-6-15(25-4)11-14(16)5-7-18(17)19(21)12-22(20,3)24/h6,8,11,17-20,24H,5,7,9-10,12H2,1-4H3/t17-,18-,19+,20-,21+,22+/m1/s1
InChIKeyAQYZEWWPIBKYCF-BTOHRNCKSA-N
ChEBI Ontology
Outgoing Relation(s)
3-Methoxy-16-methylestra-1,3,5(10)-triene-16beta,17beta-diol 17-acetate (CHEBI:79498) is a steroid ester (CHEBI:47880)
Manual XrefsDatabases
C14974KEGG COMPOUND