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CHEBI:175194 - (24S)-Ergost-4-en-3-one

ChEBI IDCHEBI:175194
ChEBI Name(24S)-Ergost-4-en-3-one
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H46O
Net Charge0
Average Mass398.675
Monoisotopic Mass398.35487
SMILES[H][C@@]12CCC3=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](C)C(C)C
InChIInChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h17-20,23-26H,7-16H2,1-6H3/t19-,20+,23-,24+,25-,26-,27-,28+/m0/s1
InChIKeyQQIOPZFVTIHASB-WUYCRTRWSA-N
ChEBI Ontology
Outgoing Relation(s)
(24S)-Ergost-4-en-3-one (CHEBI:175194) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
Manual XrefsDatabases
30777281ChemSpider
HMDB0038658HMDB