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CHEBI:221695 - Prugosene B2

ChEBI IDCHEBI:221695
ChEBI NamePrugosene B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H40O6
Net Charge0
Average Mass484.633
Monoisotopic Mass484.28249
SMILESCOC(=O)[C@@H](C)[C@H]1OC(=O)[C@@H](C)[C@@]1(C)/C=C/C=C/C=C/C=C/C=C(\C)[C@H]1O[C@@H](C)[C@@](C)(O)C=C1C
InChIInChI=1S/C29H40O6/c1-19(24-20(2)18-29(7,32)23(5)34-24)16-14-12-10-9-11-13-15-17-28(6)22(4)27(31)35-25(28)21(3)26(30)33-8/h9-18,21-25,32H,1-8H3/b10-9+,13-11+,14-12+,17-15+,19-16+/t21-,22+,23-,24+,25+,28+,29-/m0/s1
InChIKeyOSMGLBXNQSXIGQ-RKRQUAHGSA-N
Species of MetaboliteComponentSourceComments
Talaromyces rugulosus (ncbitaxon:121627) - DOI (10.1016/j.tet.2007.09.025)
ChEBI Ontology
Outgoing Relation(s)
Prugosene B2 (CHEBI:221695) is a pyrans (CHEBI:26407)
IUPAC Name 
methyl (2S)-2-[(2R,3R,4S)-3-[(1E,3E,5E,7E,9E)-10-[(2R,5S,6S)-5-hydroxy-3,5,6-trimethyl-2,6-dihydropyran-2-yl]undeca-1,3,5,7,9-pentaenyl]-3,4-dimethyl-5-oxooxolan-2-yl]propanoate
Manual XrefsDatabases
78440417ChemSpider