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2-(2'-carbomethoxymethyl-3'-ethylenedioxybutyl)-1,4-dihydroxy-5-methoxyanthraquinone
SpectraBase Compound ID KIK1VRwelXE
InChI InChI=1S/C24H24O9/c1-24(32-7-8-33-24)13(11-17(26)31-3)9-12-10-15(25)19-20(21(12)27)22(28)14-5-4-6-16(30-2)18(14)23(19)29/h4-6,10,13,25,27H,7-9,11H2,1-3H3
InChIKey KQGWOQSQWTWLAK-UHFFFAOYSA-N
Mol Weight 456.45 g/mol
Molecular Formula C24H24O9
Exact Mass 456.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MEyiHlVMFV
Name 2-(2'-carbomethoxymethyl-3'-ethylenedioxybutyl)-1,4-dihydroxy-5-methoxyanthraquinone
CAS Registry Number 66644-11-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24O9
InChI InChI=1S/C24H24O9/c1-24(32-7-8-33-24)13(11-17(26)31-3)9-12-10-15(25)19-20(21(12)27)22(28)14-5-4-6-16(30-2)18(14)23(19)29/h4-6,10,13,25,27H,7-9,11H2,1-3H3
InChIKey KQGWOQSQWTWLAK-UHFFFAOYSA-N
Molecular Weight 456.447 g/mol
SMILES Oc1c2c(c(cc1CC(C1(OCCO1)C)CC(=O)OC)O)C(c1c(C2=O)cccc1OC)=O
SPLASH splash10-000i-9002000000-4ca3b599714e5f3d3065
Source of Spectrum J-43-4167-0
Synonyms Methyl 4-(1,4-dihydroxy-5-methoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-3-(2-methyl-1,3-dioxolan-2-yl)butanoate
Wiley ID 1389248