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CHEBI:212609 - Talarosterone

ChEBI IDCHEBI:212609
ChEBI NameTalarosterone
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H40O3
Net Charge0
Average Mass424.625
Monoisotopic Mass424.29775
SMILESCC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@]23O[C@H]3C(=O)C2=CC(=O)CC[C@@]21C
InChIInChI=1S/C28H40O3/c1-16(2)17(3)7-8-18(4)20-9-10-22-26(20,5)14-12-23-27(6)13-11-19(29)15-21(27)24(30)25-28(22,23)31-25/h7-8,15-18,20,22-23,25H,9-14H2,1-6H3/b8-7+/t17-,18+,20+,22+,23+,25-,26+,27-,28+/m0/s1
InChIKeyAPUOKZOJSMYJCH-RKVYFYKZSA-N
Species of MetaboliteComponentSourceComments
Talaromyces (ncbitaxon:5094) - PubMed (28509846)
ChEBI Ontology
Outgoing Relation(s)
Talarosterone (CHEBI:212609) is a ergostanoid (CHEBI:50403)
IUPAC Name 
(1R,3R,10R,11R,14R,15R,18R)-15-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,14-dimethyl-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-5-ene-4,7-dione
Manual XrefsDatabases
78439229ChemSpider