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9,10-Anthracenedione, 2-hydroxy-4,5,7-trimethoxy-1-(1-oxobutyl)-
SpectraBase Compound ID IsrfTgORVkb
InChI InChI=1S/C21H20O7/c1-5-6-12(22)17-13(23)9-15(28-4)18-19(17)20(24)11-7-10(26-2)8-14(27-3)16(11)21(18)25/h7-9,23H,5-6H2,1-4H3
InChIKey VJHGJOVBCLUCHA-UHFFFAOYSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hl4pK1iCGL2
Name 9,10-Anthracenedione, 2-hydroxy-4,5,7-trimethoxy-1-(1-oxobutyl)-
CAS Registry Number 80589-39-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-5-6-12(22)17-13(23)9-15(28-4)18-19(17)20(24)11-7-10(26-2)8-14(27-3)16(11)21(18)25/h7-9,23H,5-6H2,1-4H3
InChIKey VJHGJOVBCLUCHA-UHFFFAOYSA-N
Molecular Weight 384.384 g/mol
SMILES Oc1cc(c2c(C(=O)c3c(C2=O)c(cc(OC)c3)OC)c1C(=O)CCC)OC
SPLASH splash10-0006-0009000000-5ca8934ba10bc0b3d102
Source of Spectrum B-34-2391-0
Synonyms 1-Butyryl-2-hydroxy-4,5,7-trimethoxyanthra-9,10-quinone Rhodocomatulin 1,6,8-trimethyl ether
Wiley ID 1361506