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Methyl 4-[3-(3,5-dioxohextyl)-1,5-dihydroxy-7-methoxy-9,10-dioxo-9,10-dihydroanthraquinon-2-yl]-3-oxo-2-butanoate
SpectraBase Compound ID AqACWS726Tl
InChI InChI=1S/C26H24O10/c1-12(27)6-14(28)5-4-13-7-18-23(24(32)17(13)8-15(29)9-21(31)36-3)26(34)19-10-16(35-2)11-20(30)22(19)25(18)33/h7,10-11,30,32H,4-6,8-9H2,1-3H3
InChIKey XKENUYDTCZUPOH-UHFFFAOYSA-N
Mol Weight 496.47 g/mol
Molecular Formula C26H24O10
Exact Mass 496.136947 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxaoZcU4Mlg
Name Methyl 4-[3-(3,5-dioxohextyl)-1,5-dihydroxy-7-methoxy-9,10-dioxo-9,10-dihydroanthraquinon-2-yl]-3-oxo-2-butanoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H24O10
InChI InChI=1S/C26H24O10/c1-12(27)6-14(28)5-4-13-7-18-23(24(32)17(13)8-15(29)9-21(31)36-3)26(34)19-10-16(35-2)11-20(30)22(19)25(18)33/h7,10-11,30,32H,4-6,8-9H2,1-3H3
InChIKey XKENUYDTCZUPOH-UHFFFAOYSA-N
Molecular Weight 496.468 g/mol
SMILES Oc1c2c(C(c3c(cc(cc3C2=O)OC)O)=O)cc(c1CC(CC(=O)OC)=O)CCC(CC(=O)C)=O
SPLASH splash10-000f-9000300000-3266183cb8165fe122c0
Source of Spectrum J-65-3222-3
Synonyms 4-[3-(3,5-dioxohexyl)-1,5-dihydroxy-7-methoxy-9,10-dioxo-2-anthracenyl]-3-oxobutanoic acid methyl ester Methyl 4-[3-(3,5-dioxohexyl)-1,5-dihydroxy-7-methoxy-9,10-dioxoanthracen-2-yl]-3-oxobutanoate Methyl 4-[3-(3,5-dioxohexyl)-1,5-dihydroxy-7-methoxy-9,10-dioxo-2-anthryl]-3-oxo-butanoate Methyl 4-[3-[3,5-bis(oxidanylidene)hexyl]-7-methoxy-1,5-bis(oxidanyl)-9,10-bis(oxidanylidene)anthracen-2-yl]-3-oxidanylidene-butanoate
Wiley ID 1532626