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2-[2'-(2-Hydroxyethyl)-3'-ethylenedioxybutyl]-1,4-dihydroxyanthraquinone
SpectraBase Compound ID 5kOLRQuM3Oa
InChI InChI=1S/C22H22O7/c1-22(28-8-9-29-22)13(6-7-23)10-12-11-16(24)17-18(19(12)25)21(27)15-5-3-2-4-14(15)20(17)26/h2-5,11,13,23-25H,6-10H2,1H3
InChIKey CXGSEMFFGUVCPT-UHFFFAOYSA-N
Mol Weight 398.41 g/mol
Molecular Formula C22H22O7
Exact Mass 398.136553 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IgzVKRyvQSV
Name 2-[2'-(2-Hydroxyethyl)-3'-ethylenedioxybutyl]-1,4-dihydroxyanthraquinone
Alternate Name(s) 1,4-Dihydroxy-2-[4-hydroxy-2-(2-methyl-1,3-dioxolan-2-yl)butyl]anthra-9,10-quinone
CAS Registry Number 67408-56-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22O7
InChI InChI=1S/C22H22O7/c1-22(28-8-9-29-22)13(6-7-23)10-12-11-16(24)17-18(19(12)25)21(27)15-5-3-2-4-14(15)20(17)26/h2-5,11,13,23-25H,6-10H2,1H3
InChIKey CXGSEMFFGUVCPT-UHFFFAOYSA-N
Molecular Weight 398.411 g/mol
SMILES Oc1c2c(c(cc1CC(C1(OCCO1)C)CCO)O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-000i-9001000000-063317c1105a905ce03f
Source of Spectrum J-43-4165-0
Wiley ID 1368393