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2-Bromo-1,5-dihydroxy-7-methoxy-3-(2-methyl[1,3]dioxolan-2-yl)-3-oxobuyl]-9,10-anthraquinone
SpectraBase Compound ID 4YSP2OnFA26
InChI InChI=1S/C23H21BrO8/c1-23(31-5-6-32-23)10-12(25)4-3-11-7-14-18(22(29)19(11)24)21(28)15-8-13(30-2)9-16(26)17(15)20(14)27/h7-9,26,29H,3-6,10H2,1-2H3
InChIKey CRQWEAQNSDLVHN-UHFFFAOYSA-N
Mol Weight 505.32 g/mol
Molecular Formula C23H21BrO8
Exact Mass 504.041981 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPbsUN3ivmD
Name 2-Bromo-1,5-dihydroxy-7-methoxy-3-(2-methyl[1,3]dioxolan-2-yl)-3-oxobuyl]-9,10-anthraquinone
Alternate Name(s) 2-Bromo-1,5-dihydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxobutyl]anthracene-9,10-dione 2-Bromo-1,5-dihydroxy-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxo-butyl]anthracene-9,10-dione 2-Bromanyl-7-methoxy-3-[4-(2-methyl-1,3-dioxolan-2-yl)-3-oxidanylidene-butyl]-1,5-bis(oxidanyl)anthracene-9,10-dione
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Formula C23H21BrO8
InChI InChI=1S/C23H21BrO8/c1-23(31-5-6-32-23)10-12(25)4-3-11-7-14-18(22(29)19(11)24)21(28)15-8-13(30-2)9-16(26)17(15)20(14)27/h7-9,26,29H,3-6,10H2,1-2H3
InChIKey CRQWEAQNSDLVHN-UHFFFAOYSA-N
Molecular Weight 505.317 g/mol
SMILES Oc1c2c(C(c3c(cc(cc3C2=O)OC)O)=O)cc(c1Br)CCC(CC1(OCCO1)C)=O
SPLASH splash10-000l-9000000000-e2a97f88a27b08e95295
Source of Spectrum J-65-3221-8
Wiley ID 1532630