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CHEBI:189900 - Polyporusterone C

ChEBI IDCHEBI:189900
ChEBI NamePolyporusterone C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O6
Net Charge0
Average Mass476.654
Monoisotopic Mass476.31379
SMILES[H][C@]1([C@@](C)(O)[C@@H]2OC2C(C)C(C)C)CC[C@@]2(O)C3=CC(=O)[C@]4([H])C[C@@H](O)[C@@H](O)C[C@]4(C)[C@@]3([H])CC[C@]12C
InChIInChI=1S/C28H44O6/c1-14(2)15(3)23-24(34-23)27(6,32)22-8-10-28(33)17-11-19(29)18-12-20(30)21(31)13-25(18,4)16(17)7-9-26(22,28)5/h11,14-16,18,20-24,30-33H,7-10,12-13H2,1-6H3/t15?,16-,18-,20+,21-,22-,23?,24+,25+,26+,27+,28+/m0/s1
InChIKeyXOSHHFGXQBEREG-ZTBSBOJQSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Polyporusterone C (CHEBI:189900) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-17-[(1R)-1-hydroxy-1-[(2R)-3-(3-methylbutan-2-yl)oxiran-2-yl]ethyl]-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
Manual XrefsDatabases
23316704ChemSpider