EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:79523 - 17beta-(Benzoyloxy)-B-norandrost-4-en-3-one

ChEBI IDCHEBI:79523
ChEBI Name17beta-(Benzoyloxy)-B-norandrost-4-en-3-one
Stars
DownloadsMolfile
FormulaC25H30O3
Net Charge0
Average Mass378.512
Monoisotopic Mass378.21949
SMILES[H][C@@]12CC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)c3ccccc3)CC[C@@]21[H]
InChIInChI=1S/C25H30O3/c1-24-12-10-18(26)14-17(24)15-19-20-8-9-22(25(20,2)13-11-21(19)24)28-23(27)16-6-4-3-5-7-16/h3-7,14,19-22H,8-13,15H2,1-2H3/t19-,20-,21-,22-,24-,25-/m0/s1
InChIKeyCMGONSOWZSKMAU-BKWLFHPQSA-N
ChEBI Ontology
Outgoing Relation(s)
17beta-(Benzoyloxy)-B-norandrost-4-en-3-one (CHEBI:79523) is a benzoate ester (CHEBI:36054)
Manual XrefsDatabases
C15000KEGG COMPOUND