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CHEBI:208414 - Chrysogenolide H

ChEBI IDCHEBI:208414
ChEBI NameChrysogenolide H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H32O8
Net Charge0
Average Mass472.534
Monoisotopic Mass472.20972
SMILESCOC(=O)[C@]1(C)O[C@H]2OC(=O)[C@@H]3[C@H]2[C@@](C)(C[C@H]2C(C)=C4CC(=O)OC(C)(C)C4=CC[C@]32C)C1=O
InChIInChI=1S/C26H32O8/c1-12-13-10-16(27)33-23(2,3)14(13)8-9-24(4)15(12)11-25(5)18-17(24)19(28)32-20(18)34-26(6,21(25)29)22(30)31-7/h8,15,17-18,20H,9-11H2,1-7H3/t15-,17-,18+,20+,24-,25+,26+/m0/s1
InChIKeyZZHZJRNCLIOQGM-LWDXKWSNSA-N
Species of MetaboliteComponentSourceComments
Penicillium (ncbitaxon:5073) - PubMed (28960979)
ChEBI Ontology
Outgoing Relation(s)
Chrysogenolide H (CHEBI:208414) is a furopyran (CHEBI:74927)
IUPAC Name 
methyl (1R,2S,12R,14R,16R,18S,21S)-2,6,6,11,14,16-hexamethyl-8,15,20-trioxo-7,17,19-trioxapentacyclo[12.6.1.02,12.05,10.018,21]henicosa-4,10-diene-16-carboxylate
Manual XrefsDatabases
78439014ChemSpider