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(1R,3S)-(-)-Thysanone
SpectraBase Compound ID D0ILlVOUeI2
InChI InChI=1S/C14H12O6/c1-5-2-7-11(14(19)20-5)13(18)10-8(12(7)17)3-6(15)4-9(10)16/h3-5,14-16,19H,2H2,1H3/t5-,14+/m0/s1
InChIKey NNXPHSFVRRTOJM-OVZGEXIGSA-N
Mol Weight 276.24 g/mol
Molecular Formula C14H12O6
Exact Mass 276.063388 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DglL1yaH2
Name (1R,3S)-(-)-Thysanone
Alternate Name(s) (1R,3S)-1,7,9-trihydroxy-3-methyl-3,4-dihydro-1H-benzo[g][2]benzopyran-5,10-dione (1R,3S)-1,7,9-trihydroxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione (1R,3S)-3-methyl-1,7,9-tris(oxidanyl)-3,4-dihydro-1H-benzo[g]isochromene-5,10-dione
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Formula C14H12O6
InChI InChI=1S/C14H12O6/c1-5-2-7-11(14(19)20-5)13(18)10-8(12(7)17)3-6(15)4-9(10)16/h3-5,14-16,19H,2H2,1H3/t5-,14+/m0/s1
InChIKey NNXPHSFVRRTOJM-OVZGEXIGSA-N
Molecular Weight 276.244 g/mol
SMILES Oc1cc2C(C3=C(C(c2c(c1)O)=O)[C@@](O[C@](C3)(C)[H])(O)[H])=O
SPLASH splash10-0a4i-9150000000-def8a07e251e46fa0ddd
Source of Spectrum K-2002-947-1
Wiley ID 1581138