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CHEBI:177608 - Aglepristone

ChEBI IDCHEBI:177608
ChEBI NameAglepristone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H37NO2
Net Charge0
Average Mass431.620
Monoisotopic Mass431.28243
SMILES[H][C@@]12CC[C@@](O)(/C=C\C)[C@@]1(C)C[C@H](c1ccc(N(C)C)cc1)C1=C3CCC(=O)C=C3CC[C@]12[H]
InChIInChI=1S/C29H37NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h5-7,9-10,15,17,24-26,32H,8,11-14,16,18H2,1-4H3/b15-5-/t24-,25+,26-,28-,29-/m0/s1
InChIKeyRTCKAOKDXNYXEH-FWSJOHTJSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Aglepristone (CHEBI:177608) is a oxo steroid (CHEBI:35789)
IUPAC Name 
(8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-[(Z)-prop-1-enyl]-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
16736563ChemSpider
D07096KEGG DRUG
Registry NumbersSources
CAS:124478-60-0ChemIDplus