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CHEBI:225315 - (7S)-5-en-auransterol

ChEBI IDCHEBI:225315
ChEBI Name(7S)-5-en-auransterol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H42O5
Net Charge0
Average Mass458.639
Monoisotopic Mass458.30322
SMILESC=C(CC[C@]1(C)O[C@H]2O[C@]34[C@@H]5[C@H](O)C[C@H]1[C@]25CC[C@@H]3[C@@]1(C)CC[C@H](O)CC1=C[C@@H]4O)C(C)C
InChIInChI=1S/C28H42O5/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/h13,15,18-24,29-31H,3,6-12,14H2,1-2,4-5H3/t18-,19+,20+,21+,22-,23+,24-,25-,26-,27-,28+/m0/s1
InChIKeyNKUVDJSDDLFWJA-RISWXVBTSA-N
Species of MetaboliteComponentSourceComments
Penicillium aurantiacobrunneum (ncbitaxon:1131577) - PubMed (31465222)
ChEBI Ontology
Outgoing Relation(s)
(7S)-5-en-auransterol (CHEBI:225315) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1S,3S,5S,6S,8R,9S,10S,13R,14R,17S,21S)-5,14-dimethyl-5-(4-methyl-3-methylidenepentyl)-2,4-dioxahexacyclo[11.8.0.01,9.03,10.06,10.014,19]henicos-19-ene-8,17,21-triol