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9,10-Anthracenedione, 2,2'-(1-hydroxy-3-methyl-1,3-propanediyl)bis[1,4-dihydroxy-
SpectraBase Compound ID 2R5ooA9fECP
InChI InChI=1S/C32H22O9/c1-13(18-11-21(34)23-25(31(18)40)29(38)16-8-4-2-6-14(16)27(23)36)10-20(33)19-12-22(35)24-26(32(19)41)30(39)17-9-5-3-7-15(17)28(24)37/h2-9,11-13,20,33-35,40-41H,10H2,1H3
InChIKey PFWLTGATIZHKMX-UHFFFAOYSA-N
Mol Weight 550.5 g/mol
Molecular Formula C32H22O9
Exact Mass 550.126382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFy442hWYQH
Name 9,10-Anthracenedione, 2,2'-(1-hydroxy-3-methyl-1,3-propanediyl)bis[1,4-dihydroxy-
CAS Registry Number 69016-70-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H22O9
InChI InChI=1S/C32H22O9/c1-13(18-11-21(34)23-25(31(18)40)29(38)16-8-4-2-6-14(16)27(23)36)10-20(33)19-12-22(35)24-26(32(19)41)30(39)17-9-5-3-7-15(17)28(24)37/h2-9,11-13,20,33-35,40-41H,10H2,1H3
InChIKey PFWLTGATIZHKMX-UHFFFAOYSA-N
Molecular Weight 550.519 g/mol
SMILES Oc1c2c(c(c(C(CC(c3c(c4C(c5ccccc5C(c4c(c3)O)=O)=O)O)C)O)c1)O)C(c1c(C2=O)cccc1)=O
SPLASH splash10-00l6-0591040000-c56ebdae8883cb5e8cb0
Source of Spectrum K-111-3833-0
Synonyms 2,2'-(1-Hydroxy-3-methyl-1,3-propandiyl)bis(1,4-dihydroxy-9,10-anthraquinone) 2-[3-(1,4-dihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-1-hydroxybutyl]-1,4-dihydroxyanthra-9,10-quinone
Wiley ID 1405750