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2-[2'-(2-Hydroxyethyl)-3'-ethylenedioxybutyl]-5-methoxy-1,4-dihydroxyanthraquinone
SpectraBase Compound ID KFjC4WoA07V
InChI InChI=1S/C23H24O8/c1-23(30-8-9-31-23)13(6-7-24)10-12-11-15(25)18-19(20(12)26)21(27)14-4-3-5-16(29-2)17(14)22(18)28/h3-5,11,13,24-26H,6-10H2,1-2H3
InChIKey ADLPWAZWXJBRSY-UHFFFAOYSA-N
Mol Weight 428.44 g/mol
Molecular Formula C23H24O8
Exact Mass 428.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CPA5TmWvgc0
Name 2-[2'-(2-Hydroxyethyl)-3'-ethylenedioxybutyl]-5-methoxy-1,4-dihydroxyanthraquinone
Alternate Name(s) 1,4-Dihydroxy-2-[4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)butyl]-5-methoxyanthra-9,10-quinone
CAS Registry Number 67408-69-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H24O8
InChI InChI=1S/C23H24O8/c1-23(30-8-9-31-23)13(6-7-24)10-12-11-15(25)18-19(20(12)26)21(27)14-4-3-5-16(29-2)17(14)22(18)28/h3-5,11,13,24-26H,6-10H2,1-2H3
InChIKey ADLPWAZWXJBRSY-UHFFFAOYSA-N
Molecular Weight 428.437 g/mol
SMILES Oc1c2c(c(cc1CC(C1(OCCO1)C)CCO)O)C(c1c(C2=O)cccc1OC)=O
SPLASH splash10-000i-9000000000-ad8ae8b30be938749b41
Source of Spectrum J-43-4167-0
Wiley ID 1380670