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CHEBI:227718 - Purpurogenolide C

ChEBI IDCHEBI:227718
ChEBI NamePurpurogenolide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H30O8
Net Charge0
Average Mass470.518
Monoisotopic Mass470.19407
SMILESC=C1C2=CC(=O)OC(C)(C)C2=CC[C@@]2(C)C1C[C@@]1(C)C(=O)O[C@H]3O[C@@H](C)C(=O)[C@@]2(C(=O)OC)[C@H]31
InChIInChI=1S/C26H30O8/c1-12-14-10-17(27)34-23(3,4)15(14)8-9-25(6)16(12)11-24(5)18-20(33-21(24)29)32-13(2)19(28)26(18,25)22(30)31-7/h8,10,13,16,18,20H,1,9,11H2,2-7H3/t13-,16?,18+,20+,24+,25-,26+/m0/s1
InChIKeyCELLGHOJUHAKBM-KWVDQYNKSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (27120704)
ChEBI Ontology
Outgoing Relation(s)
Purpurogenolide C (CHEBI:227718) is a furopyran (CHEBI:74927)
IUPAC Name 
methyl (1R,2S,14R,17R,19S,21R)-2,6,6,14,19-pentamethyl-11-methylidene-8,15,20-trioxo-7,16,18-trioxapentacyclo[12.6.1.02,12.05,10.017,21]henicosa-4,9-diene-1-carboxylate
Manual XrefsDatabases
78438896ChemSpider