EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:135339 - demegestone

ChEBI IDCHEBI:135339
ChEBI Namedemegestone
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC21H28O2
Net Charge0
Average Mass312.453
Monoisotopic Mass312.20893
SMILES[H][C@@]12CC[C@](C)(C(C)=O)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C21H28O2/c1-13(22)20(2)11-9-19-18-6-4-14-12-15(23)5-7-16(14)17(18)8-10-21(19,20)3/h12,18-19H,4-11H2,1-3H3/t18-,19+,20-,21+/m1/s1
InChIKeyJWAHBTQSSMYISL-MHTWAQMVSA-N
ChEBI Ontology
Outgoing Relation(s)
demegestone (CHEBI:135339) is a 20-oxo steroid (CHEBI:36885)
Synonym  Source
lutionexDrugCentral
Manual XrefsDatabases
803DrugCentral
Registry NumbersSources
CAS:10116-22-0DrugCentral