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CHEBI:225310 - Auransterol

ChEBI IDCHEBI:225310
ChEBI NameAuransterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H44O5
Net Charge0
Average Mass460.655
Monoisotopic Mass460.31887
SMILESC=C(CC[C@]1(C)O[C@H]2O[C@@]34[C@H](O)C[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]23[C@H]4[C@H](O)C[C@@H]31)C(C)C
InChIInChI=1S/C28H44O5/c1-15(2)16(3)6-10-26(5)21-14-19(30)23-27(21)11-8-20-25(4)9-7-18(29)12-17(25)13-22(31)28(20,23)33-24(27)32-26/h15,17-24,29-31H,3,6-14H2,1-2,4-5H3/t17-,18+,19-,20-,21-,22-,23-,24+,25+,26+,27+,28-/m1/s1
InChIKeyULMXQCHYFQWPAN-QBSYMUPTSA-N
Species of MetaboliteComponentSourceComments
Penicillium aurantiacobrunneum (ncbitaxon:1131577) - PubMed (31465222)
ChEBI Ontology
Outgoing Relation(s)
Auransterol (CHEBI:225310) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,3S,5S,6S,8R,9S,10S,13R,14S,17S,19R,21R)-5,14-dimethyl-5-(4-methyl-3-methylidenepentyl)-2,4-dioxahexacyclo[11.8.0.01,9.03,10.06,10.014,19]henicosane-8,17,21-triol