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CHEBI:190164 - Stigmastane-3,6-dione

ChEBI IDCHEBI:190164
ChEBI NameStigmastane-3,6-dione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O2
Net Charge0
Average Mass428.701
Monoisotopic Mass428.36543
SMILES[H][C@@]12CC(=O)C3CC(=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/C29H48O2/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/h18-20,22-26H,7-17H2,1-6H3/t19-,20-,22+,23-,24+,25+,26?,28-,29-/m1/s1
InChIKeyHMMVBUVVQLUGQA-KSYQFOCASA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) Serum (BTO:0000133) MetaboLights (MTBLS4478)
ChEBI Ontology
Outgoing Relation(s)
Stigmastane-3,6-dione (CHEBI:190164) has parent hydride stigmastane (CHEBI:26773)
Stigmastane-3,6-dione (CHEBI:190164) 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-2,4,5,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
Manual XrefsDatabases
21377729ChemSpider