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CHEBI:217828 - Formosterol A

ChEBI IDCHEBI:217828
ChEBI NameFormosterol A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O7
Net Charge0
Average Mass490.637
Monoisotopic Mass490.29305
SMILESC[C@H]([C@@H]1O[C@@H]1[C@H](C)C(C)(C)O)[C@H]1[C@@H](O)C[C@]2(O)C3=CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)[C@H](O)[C@]12C
InChIInChI=1S/C28H42O7/c1-13(22-23(35-22)14(2)25(3,4)33)19-18(30)12-28(34)17-8-7-15-11-16(29)9-10-26(15,5)20(17)21(31)24(32)27(19,28)6/h7-8,13-14,16,18-20,22-24,29-30,32-34H,9-12H2,1-6H3/t13-,14-,16-,18-,19-,20+,22-,23+,24-,26-,27-,28-/m0/s1
InChIKeyUXJXQMSUPUZVDE-SHDYPPFUSA-N
Species of MetaboliteComponentSourceComments
Gibellula formosana (ncbitaxon:219212) - DOI (10.1016/j.tet.2012.05.020)
ChEBI Ontology
Outgoing Relation(s)
Formosterol A (CHEBI:217828) is a cholestanoid (CHEBI:50401)
IUPAC Name 
(3S,9R,10R,12R,13S,14S,16S,17R)-3,12,14,16-tetrahydroxy-17-[(1S)-1-[(2S,3R)-3-[(2S)-3-hydroxy-3-methylbutan-2-yl]oxiran-2-yl]ethyl]-10,13-dimethyl-2,3,4,9,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-11-one
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78437588ChemSpider