EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:178536 - 3,5,9-Trihydroxyergost-7-en-6-one

ChEBI IDCHEBI:178536
ChEBI Name3,5,9-Trihydroxyergost-7-en-6-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O4
Net Charge0
Average Mass446.672
Monoisotopic Mass446.33961
SMILESCC(C)C(C)CCC(C)C1CCC2C3=CC(=O)C4(O)CC(O)CCC4(C)C3(O)CCC21C
InChIInChI=1S/C28H46O4/c1-17(2)18(3)7-8-19(4)21-9-10-22-23-15-24(30)28(32)16-20(29)11-12-26(28,6)27(23,31)14-13-25(21,22)5/h15,17-22,29,31-32H,7-14,16H2,1-6H3
InChIKeyWNCDXWLLIJDSNA-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3,5,9-Trihydroxyergost-7-en-6-one (CHEBI:178536) is a ergostanoid (CHEBI:50403)
IUPAC Name 
17-(5,6-dimethylheptan-2-yl)-3,5,9-trihydroxy-10,13-dimethyl-1,2,3,4,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
HMDB0032875HMDB