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CHEBI:208802 - 22-epoxyberkeleydione

ChEBI IDCHEBI:208802
ChEBI Name22-epoxyberkeleydione
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O8
Net Charge0
Average Mass472.534
Monoisotopic Mass472.20972
SMILESCOC(=O)[C@]12C(=O)[C@@](C)(O)C(=O)[C@](C)(C[C@H]3C(C)=C4CC(=O)OC(C)(C)C4=CC[C@@]31C)[C@]21CO1
InChIInChI=1S/C26H32O8/c1-13-14-10-17(27)34-21(2,3)15(14)8-9-22(4)16(13)11-23(5)18(28)24(6,31)19(29)26(22,20(30)32-7)25(23)12-33-25/h8,16,31H,9-12H2,1-7H3/t16-,22-,23-,24-,25+,26+/m0/s1
InChIKeyDRMIYYPESWIXHQ-PSNFPAJSSA-N
Species of MetaboliteComponentSourceComments
Talaromyces minioluteus (ncbitaxon:28574) - PubMed (18237180)
ChEBI Ontology
Outgoing Relation(s)
22-epoxyberkeleydione (CHEBI:208802) is a δ-lactone (CHEBI:18946)
IUPAC Name 
methyl (1R,2S,12S,14R,16S,18R)-16-hydroxy-2,6,6,11,14,16-hexamethyl-8,15,17-trioxospiro[7-oxatetracyclo[12.3.1.02,12.05,10]octadeca-4,10-diene-18,2'-oxirane]-1-carboxylate
Manual XrefsDatabases
76772438ChemSpider