CHEBI:177715 - Dicirenone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Dicirenone
ChEBI ID CHEBI:177715
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C26H36O5
Net Charge 0
Average Mass 428.569
Monoisotopic Mass 428.25627
InChI InChI=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
InChIKey WUVPAYPBMZMHJO-IMNLCBETSA-N
SMILES O1[C@@]2([C@@]3([C@]([C@]4([C@@]([C@@]5(C(C[C@H]4C(OC(C)C)=O)=CC(=O)CC5)C)(CC3)[H])[H])(CC2)[H])C)CCC1=O
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
8563314 ChemSpider
D03792 KEGG DRUG
View more database links
Registry Number Type Source
41020-79-5 CAS Registry Number ChemIDplus