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Islandacin triacetate
SpectraBase Compound ID D47mjzHuFe
InChI InChI=1S/C21H16O8/c1-9-8-15(28-11(3)23)17-18(21(9)29-12(4)24)19(25)13-6-5-7-14(27-10(2)22)16(13)20(17)26/h5-8H,1-4H3
InChIKey BPQAWWSWYULFRK-UHFFFAOYSA-N
Mol Weight 396.35 g/mol
Molecular Formula C21H16O8
Exact Mass 396.084517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ebt2JCBBFL
Name Triacetyl-islandicin
Alternate Name(s) 1,4,8-Triacetoxy-3-methylanthraquinone 4,5-bis(acetyloxy)-2-methyl-9,10-dioxo-9,10-dihydro-1-anthracenyl acetate
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Formula C21H16O8
InChI InChI=1S/C21H16O8/c1-9-8-15(28-11(3)23)17-18(21(9)29-12(4)24)19(25)13-6-5-7-14(27-10(2)22)16(13)20(17)26/h5-8H,1-4H3
InChIKey BPQAWWSWYULFRK-UHFFFAOYSA-N
Molecular Weight 396.351 g/mol
SMILES c1(cc(c(c2C(=O)c3cccc(c3C(=O)c12)OC(=O)C)OC(=O)C)C)OC(=O)C
SPLASH splash10-00di-0193000000-7885ce5b176556b3fb8b
Source of Spectrum X4-16-120-0
Wiley ID 1585334