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PESTALOTIN
SpectraBase Compound ID 1sHTgUdsl86
InChI InChI=1S/C11H18O4/c1-3-4-5-9(12)10-6-8(14-2)7-11(13)15-10/h7,9-10,12H,3-6H2,1-2H3/t9-,10+/m0/s1
InChIKey YFIMUDXPJZVJJO-VHSXEESVSA-N
Mol Weight 214.26 g/mol
Molecular Formula C11H18O4
Exact Mass 214.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LgvEdBFHsfg
Name (6R*,1'S*)-5,6-dihydro-6-(1'-hydroxypentyl)-4-methoxypyran-2-one epi-pestalotin
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Formula C11H18O4
InChI InChI=1S/C11H18O4/c1-3-4-5-9(12)10-6-8(14-2)7-11(13)15-10/h7,9-10,12H,3-6H2,1-2H3/t9-,10+/m0/s1
InChIKey YFIMUDXPJZVJJO-VHSXEESVSA-N
Molecular Weight 214.261 g/mol
SMILES O[C@]([C@@]1(OC(C=C(C1)OC)=O)[H])(CCCC)[H]
SPLASH splash10-004i-4900000000-62e399b30b57545735f6
Source of Spectrum KC-1992-698-8
Synonyms (R)-6-((S)-1-Hydroxy-pentyl)-4-methoxy-5,6-dihydro-pyran-2-one (2R)-4-methoxy-2-[(1S)-1-oxidanylpentyl]-2,3-dihydropyran-6-one
Wiley ID 776057