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CHEBI:191954 - (24R)-Ergost-4-ene-3,6-dione

ChEBI IDCHEBI:191954
ChEBI Name(24R)-Ergost-4-ene-3,6-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O2
Net Charge0
Average Mass412.658
Monoisotopic Mass412.33413
SMILESCC(C)C(C)CCC(C)C1CCC2C3CC(=O)C4=CC(=O)CCC4(C)C3CCC12C
InChIInChI=1S/C28H44O2/c1-17(2)18(3)7-8-19(4)22-9-10-23-21-16-26(30)25-15-20(29)11-13-28(25,6)24(21)12-14-27(22,23)5/h15,17-19,21-24H,7-14,16H2,1-6H3
InChIKeyHYALICAWDSDCPS-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Populus trichocarpa (ncbitaxon:3694) root (BTO:0001188) MetaboLights (MTBLS4196)
ChEBI Ontology
Outgoing Relation(s)
(24R)-Ergost-4-ene-3,6-dione (CHEBI:191954) is a ergostanoid (CHEBI:50403)
IUPAC Name 
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Manual XrefsDatabases
HMDB0038657HMDB