Prugosene A1 (CHEBI:203806)

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CHEBI:203806 - Prugosene A1

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ChEBI ID	CHEBI:203806
ChEBI Name	Prugosene A1
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C28H36O5
Net Charge	0
Average Mass	452.591
Monoisotopic Mass	452.25627
SMILES	CC1=C[C@@](C)(O)[C@@H](C)O[C@H]1/C(C)=C/C=C/C=C/C=C/C=C/[C@]1(C)[C@H]2OC(=O)C1(C)C(=O)C2C
InChI	InChI=1S/C28H36O5/c1-18(22-19(2)17-27(6,31)21(4)32-22)15-13-11-9-8-10-12-14-16-26(5)24-20(3)23(29)28(26,7)25(30)33-24/h8-17,20-22,24,31H,1-7H3/b9-8+,12-10+,13-11+,16-14+,18-15+/t20?,21-,22+,24+,26-,27-,28?/m1/s1
InChIKey	XIMIJLIJIXHXPJ-UFVQQMAKSA-N

Species of Metabolite	Component	Source	Comments
Talaromyces rugulosus (ncbitaxon:121627)	-	DOI (10.1016/j.tet.2007.09.025)

ChEBI Ontology

Outgoing Relation(s)
	Prugosene A1 (CHEBI:203806) is a δ-lactone (CHEBI:18946)

IUPAC Name
(1S,7S)-7-[(1E,3E,5E,7E,9E)-10-[(2S,5R,6R)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaenyl]-4,6,7-trimethyl-2-oxabicyclo[2.2.1]heptane-3,5-dione

Manual Xrefs	Databases
23076714	ChemSpider