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4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-(3-methylbut-2-enyl)-2,3,6,8-tetrakis(oxidanyl)xanthen-9-one
SpectraBase Compound ID GSiLYW07fUf
InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-20-26(32)25(31)19(11-9-16(3)4)23-27(33)24-21(30)13-18(29)14-22(24)34-28(20)23/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
InChIKey GPHYDWLQZOOUFR-LICLKQGHSA-N
Mol Weight 464.6 g/mol
Molecular Formula C28H32O6
Exact Mass 464.219889 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eWLDyLR3sv
Name 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-(3-methylbut-2-enyl)-2,3,6,8-tetrakis(oxidanyl)xanthen-9-one
Alternate Name(s) 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)-9-xanthenone 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthen-9-one 4-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,3,6,8-tetrahydroxy-1-(3-methylbut-2-enyl)xanthone
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Formula C28H32O6
InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)10-12-20-26(32)25(31)19(11-9-16(3)4)23-27(33)24-21(30)13-18(29)14-22(24)34-28(20)23/h7,9-10,13-14,29-32H,6,8,11-12H2,1-5H3/b17-10+
InChIKey GPHYDWLQZOOUFR-LICLKQGHSA-N
Molecular Weight 464.558 g/mol
SMILES Oc1cc(c2c(Oc3c(c(c(c(c3C\C=C\(CCC=C(C)C)C)O)O)CC=C(C)C)C2=O)c1)O
SPLASH splash10-01rj-0029300000-5551fef720e6ded025ba
Source of Spectrum G4-59-475-1
Wiley ID 1606300