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CHEBI:200837 - Prugosene C2

ChEBI IDCHEBI:200837
ChEBI NamePrugosene C2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H36O4
Net Charge0
Average Mass424.581
Monoisotopic Mass424.26136
SMILESCC1=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=C(CO)C(=O)[C@@H]1C
InChIInChI=1S/C27H36O4/c1-19(25-20(2)16-27(6,30)22(4)31-25)14-12-10-8-7-9-11-13-15-26(5)17-23(18-28)24(29)21(26)3/h7-17,21-22,25,28,30H,18H2,1-6H3/b8-7+,11-9+,12-10+,15-13+,19-14+/t21-,22+,25-,26+,27+/m0/s1
InChIKeyYPELKNYMLKTHOB-CZJGSTMKSA-N
Species of MetaboliteComponentSourceComments
Talaromyces rugulosus (ncbitaxon:121627) - DOI (10.1016/j.tet.2007.09.025)
ChEBI Ontology
Outgoing Relation(s)
Prugosene C2 (CHEBI:200837) is a monoterpenoid (CHEBI:25409)
IUPAC Name 
(4R,5R)-2-(hydroxymethyl)-4-[(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]-4,5-dimethylcyclopent-2-en-1-one
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23076720ChemSpider