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CHEBI:175653 - Polyporusterone E

ChEBI IDCHEBI:175653
ChEBI NamePolyporusterone E
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FormulaC28H44O5
Net Charge0
Average Mass460.655
Monoisotopic Mass460.31887
SMILES[H][C@@]12C[C@@H](O)[C@@H](O)C[C@]1(C)[C@@]1([H])CC[C@@]3(C)[C@@](O)(CC[C@]3([H])[C@H](C)[C@@H]3O[C@H]3[C@H](C)C(C)C)C1=CC2=O
InChIInChI=1S/C28H44O5/c1-14(2)15(3)24-25(33-24)16(4)17-8-10-28(32)19-11-21(29)20-12-22(30)23(31)13-26(20,5)18(19)7-9-27(17,28)6/h11,14-18,20,22-25,30-32H,7-10,12-13H2,1-6H3/t15-,16+,17-,18+,20+,22-,23+,24+,25+,26-,27-,28-/m1/s1
InChIKeyBBNQTVHCXTWVJZ-QOOAPMMESA-N
ChEBI Ontology
Outgoing Relation(s)
Polyporusterone E (CHEBI:175653) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(2S,3R,5R,9R,10R,13R,14S,17R)-2,3,14-trihydroxy-10,13-dimethyl-17-[(1S)-1-[(2S,3S)-3-[(2R)-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
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