EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:31940 - Oxabolone cipionate

Default Structure
ChEBI IDCHEBI:31940
ChEBI NameOxabolone cipionate
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC26H38O4
Net Charge0
Average Mass414.586
Monoisotopic Mass414.27701
SMILES[H][C@@]12CCC3=C(O)C(=O)CC[C@]3([H])[C@@]1([H])CC[C@]1(C)[C@@H](OC(=O)CCC3CCCC3)CC[C@@]21[H]
InChIInChI=1S/C26H38O4/c1-26-15-14-18-17-9-11-22(27)25(29)20(17)8-7-19(18)21(26)10-12-23(26)30-24(28)13-6-16-4-2-3-5-16/h16-19,21,23,29H,2-15H2,1H3/t17-,18-,19-,21+,23+,26+/m1/s1
InChIKeyKHKDIUPVDIEHAH-KXLSUQFWSA-N
ChEBI Ontology
Outgoing Relation(s)
Oxabolone cipionate (CHEBI:31940) is a organic molecular entity (CHEBI:50860)
Synonym  Source
Oxabolone cipionateKEGG COMPOUND
Manual XrefsDatabases
4681DrugCentral
D01149KEGG DRUG
Registry NumbersSources
CAS:1254-35-9KEGG COMPOUND