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CHEBI:177715 - Dicirenone

ChEBI IDCHEBI:177715
ChEBI NameDicirenone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36O5
Net Charge0
Average Mass428.569
Monoisotopic Mass428.25627
SMILES[H][C@]12CC[C@]3(C)[C@]4(CCC(=O)O4)CC[C@@]3([H])[C@]1([H])[C@H](C(=O)OC(C)C)CC1=CC(=O)CC[C@@]12C
InChIInChI=1S/C26H36O5/c1-15(2)30-23(29)18-14-16-13-17(27)5-9-24(16,3)19-6-10-25(4)20(22(18)19)7-11-26(25)12-8-21(28)31-26/h13,15,18-20,22H,5-12,14H2,1-4H3/t18-,19+,20+,22-,24+,25+,26-/m1/s1
InChIKeyWUVPAYPBMZMHJO-IMNLCBETSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
Dicirenone (CHEBI:177715) is a steroid lactone (CHEBI:26766)
IUPAC Name 
propan-2-yl (7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3,5'-dioxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-carboxylate
Manual XrefsDatabases
8563314ChemSpider
D03792KEGG DRUG
Registry NumbersSources
CAS:41020-79-5ChemIDplus