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2-(2'-Carbomethoxymethyl-3'-ethylenedioxybutyl)-1,4-dihydroxyanthraquinone
SpectraBase Compound ID 9DVuXjulacW
InChI InChI=1S/C23H22O8/c1-23(30-7-8-31-23)13(11-17(25)29-2)9-12-10-16(24)18-19(20(12)26)22(28)15-6-4-3-5-14(15)21(18)27/h3-6,10,13,24,26H,7-9,11H2,1-2H3
InChIKey ZIUAMQDTSKGBRD-UHFFFAOYSA-N
Mol Weight 426.42 g/mol
Molecular Formula C23H22O8
Exact Mass 426.131468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I7hpPZ6OrfV
Name 2-(2'-Carbomethoxymethyl-3'-ethylenedioxybutyl)-1,4-dihydroxyanthraquinone
Alternate Name(s) Methyl 4-(1,4-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-3-(2-methyl-1,3-dioxolan-2-yl)butanoate
CAS Registry Number 67408-45-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H22O8
InChI InChI=1S/C23H22O8/c1-23(30-7-8-31-23)13(11-17(25)29-2)9-12-10-16(24)18-19(20(12)26)22(28)15-6-4-3-5-14(15)21(18)27/h3-6,10,13,24,26H,7-9,11H2,1-2H3
InChIKey ZIUAMQDTSKGBRD-UHFFFAOYSA-N
Molecular Weight 426.421 g/mol
SMILES Oc1c2c(c(cc1CC(C1(OCCO1)C)CC(=O)OC)O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-000i-9001000000-ec86e2c87a1a7dfb2559
Source of Spectrum J-43-4165-0
Wiley ID 1379891