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1-Acetoxy-2-(2'-acetyl-2'-carbethoxymethyl-3'-oxobutyl)-5-methoxyanthraquinone
SpectraBase Compound ID CYXvDROCOUe
InChI InChI=1S/C27H26O9/c1-6-35-21(31)13-27(14(2)28,15(3)29)12-17-10-11-19-23(26(17)36-16(4)30)25(33)18-8-7-9-20(34-5)22(18)24(19)32/h7-11H,6,12-13H2,1-5H3
InChIKey VKCXCTQOQMEANZ-UHFFFAOYSA-N
Mol Weight 494.5 g/mol
Molecular Formula C27H26O9
Exact Mass 494.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9ISYea4duLp
Name 1-Acetoxy-2-(2'-acetyl-2'-carbethoxymethyl-3'-oxobutyl)-5-methoxyanthraquinone
CAS Registry Number 66644-07-3
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H26O9
InChI InChI=1S/C27H26O9/c1-6-35-21(31)13-27(14(2)28,15(3)29)12-17-10-11-19-23(26(17)36-16(4)30)25(33)18-8-7-9-20(34-5)22(18)24(19)32/h7-11H,6,12-13H2,1-5H3
InChIKey VKCXCTQOQMEANZ-UHFFFAOYSA-N
Molecular Weight 494.496 g/mol
SMILES c12C(c3cccc(c3C(c2ccc(CC(C(=O)C)(C(=O)C)CC(=O)OCC)c1OC(=O)C)=O)OC)=O
SPLASH splash10-0006-2019000000-f316b7de7009bcf4235c
Source of Spectrum J-43-4166-0
Synonyms Ethyl 3-acetyl-3-{[1-(acetyloxy)-5-methoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl]methyl}-4-oxopentanoate
Wiley ID 1397881