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CHEBI:212650 - Ukulactone A

ChEBI IDCHEBI:212650
ChEBI NameUkulactone A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H38O5
Net Charge0
Average Mass466.618
Monoisotopic Mass466.27192
SMILESCC1=C[C@@](C)(O)[C@@H](C)O[C@H]1/C(C)=C/C=C/C=C/C=C/C(C)=C/[C@]1(C)[C@H]2OC(=O)[C@]1(C)C(=O)[C@@H]2C
InChIInChI=1S/C29H38O5/c1-18(16-27(6)25-21(4)24(30)29(27,8)26(31)34-25)14-12-10-9-11-13-15-19(2)23-20(3)17-28(7,32)22(5)33-23/h9-17,21-23,25,32H,1-8H3/b10-9+,13-11+,14-12+,18-16+,19-15+/t21-,22+,23-,25-,27+,28+,29-/m0/s1
InChIKeyRHXSRISAJFLIHS-WQEIKUNISA-N
Species of MetaboliteComponentSourceComments
Penicilliumspecies FKI-3389 (ncbitaxon:557292) - DOI (10.1016/j.tet.2011.05.090)
ChEBI Ontology
Outgoing Relation(s)
Ukulactone A (CHEBI:212650) is a δ-lactone (CHEBI:18946)
IUPAC Name 
(1S,4S,6R,7S)-7-[(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]-2-methylundeca-1,3,5,7,9-pentaenyl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione
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76823601ChemSpider