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CHEBI:175324 - Ergostane-3,6-dione

ChEBI IDCHEBI:175324
ChEBI NameErgostane-3,6-dione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O2
Net Charge0
Average Mass414.674
Monoisotopic Mass414.34978
SMILESCC(C)C(C)CCC(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C
InChIInChI=1S/C28H46O2/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/h17-19,21-25H,7-16H2,1-6H3
InChIKeyVETZNBAGZJYCQT-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ergostane-3,6-dione (CHEBI:175324) is a ergostanoid (CHEBI:50403)
IUPAC Name 
17-(5,6-dimethylheptan-2-yl)-10,13-dimethyl-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Manual XrefsDatabases
HMDB0032004HMDB