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CHEBI:191778 - Stigmast-4-ene-3,6-dione

ChEBI IDCHEBI:191778
ChEBI NameStigmast-4-ene-3,6-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H46O2
Net Charge0
Average Mass426.685
Monoisotopic Mass426.34978
SMILES[H][C@@]12CC(=O)C3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CC[C@@H](CC)C(C)C
InChIInChI=1S/C29H46O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-22-17-27(31)26-16-21(30)12-14-29(26,6)25(22)13-15-28(23,24)5/h16,18-20,22-25H,7-15,17H2,1-6H3/t19-,20-,22+,23-,24+,25+,28-,29-/m1/s1
InChIKeyUVFOCYGYACXLAY-ZDQUCUCBSA-N
Species of MetaboliteComponentSourceComments
Ulmus parvifolia (ncbitaxon:63058)
bark (BTO:0001301) MetaboLights (MTBLS4572)
seed (BTO:0001226) MetaboLights (MTBLS4572)
ChEBI Ontology
Outgoing Relation(s)
Stigmast-4-ene-3,6-dione (CHEBI:191778) has parent hydride stigmastane (CHEBI:26773)
Stigmast-4-ene-3,6-dione (CHEBI:191778) is a steroid (CHEBI:35341)
IUPAC Name 
(8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-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
4590249ChemSpider
Registry NumbersSources
CAS:23670-94-2ChemIDplus