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(4R,5S,10R,11R)-Longipin-2-ene-1,7,9-trione
SpectraBase Compound ID FGZC6CSJYKW
InChI InChI=1S/C15H18O3/c1-7-5-8(16)12-13-11(7)15(12,4)10(18)6-9(17)14(13,2)3/h5,11-13H,6H2,1-4H3/t11-,12+,13-,15+/m0/s1
InChIKey BNPFBRSHBBXNRA-SFDCQRBFSA-N
Mol Weight 246.31 g/mol
Molecular Formula C15H18O3
Exact Mass 246.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62LqUNcCexn
Name (4R,5S,10R,11R)-Longipin-2-ene-1,7,9-trione
Appearance Colorless crystals
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Formula C15H18O3
InChI InChI=1S/C15H18O3/c1-7-5-8(16)12-13-11(7)15(12,4)10(18)6-9(17)14(13,2)3/h5,11-13H,6H2,1-4H3/t11-,12+,13-,15+/m0/s1
InChIKey BNPFBRSHBBXNRA-SFDCQRBFSA-N
Instrument Name Hewlett-Packard 5930A
Ionization Type EI
Literature Reference DOI 10.1021/acs.jnatprod.7b00041
Molecular Weight 246.306 g/mol
Reported Formula C15H18O3
SMILES C=1C([C@@]2([C@@]3([C@](C1C)([C@]2(C(CC(C3(C)C)=O)=O)C)[H])[H])[H])=O
SPLASH splash10-03fr-3910000000-d5b0b5b359df2e71db75
Source of Spectrum G4-80-SM14-2
Wiley ID 1867605