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3-Isomangostin
SpectraBase Compound ID 6Jbzk0tTZu
InChI InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3
InChIKey KJCDBAVVDILRMP-UHFFFAOYSA-N
Mol Weight 410.47 g/mol
Molecular Formula C24H26O6
Exact Mass 410.172939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UkBqwu5G7z
Name 3-Isomangostin
Alternate Name(s) 5,9-Dihydroxy-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one 8-Methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-5,9-bis(oxidanyl)-3,4-dihydropyrano[3,2-b]xanthen-6-one
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Formula C24H26O6
InChI InChI=1S/C24H26O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,10-11,25-26H,7-9H2,1-5H3
InChIKey KJCDBAVVDILRMP-UHFFFAOYSA-N
Molecular Weight 410.466 g/mol
SMILES Oc1c2c(Oc3cc(c(c(c3C2=O)CC=C(C)C)OC)O)cc2OC(CCc12)(C)C
SPLASH splash10-03yi-4009400000-8a3c029031137cffd882
Source of Spectrum B-51-253-2
Wiley ID 746174