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4a,4b,8a,8-Tetrahydro-4a,8a-dihydroxy-2,6-bis[(4'-methylphenyl)ethenyl]cyclobuta[1,2-b : 3,4-b']dipyran-4,8-dione
SpectraBase Compound ID LrAj2K3JAtf
InChI InChI=1S/C28H24O6/c1-17-3-7-19(8-4-17)11-13-21-15-23(29)27(31)25(33-21)28(32)24(30)16-22(34-26(27)28)14-12-20-9-5-18(2)6-10-20/h3-16,25-26,31-32H,1-2H3/b13-11+,14-12+
InChIKey NLGMUSRIXQYJPF-PHEQNACWSA-N
Mol Weight 456.49 g/mol
Molecular Formula C28H24O6
Exact Mass 456.157288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6gNkkpDInAe
Name 4a,4b,8a,8-Tetrahydro-4a,8a-dihydroxy-2,6-bis[(4'-methylphenyl)ethenyl]cyclobuta[1,2-b : 3,4-b']dipyran-4,8-dione
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Formula C28H24O6
InChI InChI=1S/C28H24O6/c1-17-3-7-19(8-4-17)11-13-21-15-23(29)27(31)25(33-21)28(32)24(30)16-22(34-26(27)28)14-12-20-9-5-18(2)6-10-20/h3-16,25-26,31-32H,1-2H3/b13-11+,14-12+
InChIKey NLGMUSRIXQYJPF-PHEQNACWSA-N
Molecular Weight 456.494 g/mol
SMILES OC12C(C=C(OC1C1(C2OC(=CC1=O)\C=C\c1ccc(cc1)C)O)\C=C\c1ccc(cc1)C)=O
SPLASH splash10-004i-2900000000-7134d3f959914430f26e
Source of Spectrum Y-39-41-3
Wiley ID 1528345