CHEBI:177471 - spiroxasone

ChEBI IDCHEBI:177471
ChEBI Namespiroxasone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H34O3S
Net Charge0
Average Mass402.600
Monoisotopic Mass402.22287
SMILES[H][C@]12CC[C@]3(C)[C@]4(CCCO4)CC[C@@]3([H])[C@]1([H])[C@H](SC(C)=O)CC1=CC(=O)CC[C@@]12C
InChIInChI=1S/C24H34O3S/c1-15(25)28-20-14-16-13-17(26)5-9-22(16,2)18-6-10-23(3)19(21(18)20)7-11-24(23)8-4-12-27-24/h13,18-21H,4-12,14H2,1-3H3/t18-,19-,20+,21+,22-,23-,24-/m0/s1
InChIKeyXKCGICBTWRNUCL-KIEAKMPYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
spiroxasone (CHEBI:177471) is a oxo steroid (CHEBI:35789)
IUPAC Name 
S-[(7R,8R,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxospiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,2'-oxolane]-7-yl] ethanethioate
Manual XrefsDatabases
D05912KEGG DRUG
21652ChemSpider
Registry NumbersSources
CAS:6673-97-8ChemIDplus