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Methyl 4-(6'-formyl-5'-hydroxy-1'-methoxy-9',10'-anthraquinon-2'-yl)-3-hydroxy-3-methylbutanoate
SpectraBase Compound ID 3yP3U4wgvvm
InChI InChI=1S/C22H20O8/c1-22(28,9-15(24)29-2)8-11-4-6-14-17(21(11)30-3)20(27)13-7-5-12(10-23)18(25)16(13)19(14)26/h4-7,10,25,28H,8-9H2,1-3H3/t22-/m1/s1
InChIKey RGDHOWMLYHLWIT-JOCHJYFZSA-N
Mol Weight 412.39 g/mol
Molecular Formula C22H20O8
Exact Mass 412.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ERTJEZQad0S
Name Methyl 4-(6'-formyl-5'-hydroxy-1'-methoxy-9',10'-anthraquinon-2'-yl)-3-hydroxy-3-methylbutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20O8
InChI InChI=1S/C22H20O8/c1-22(28,9-15(24)29-2)8-11-4-6-14-17(21(11)30-3)20(27)13-7-5-12(10-23)18(25)16(13)19(14)26/h4-7,10,25,28H,8-9H2,1-3H3/t22-/m1/s1
InChIKey RGDHOWMLYHLWIT-JOCHJYFZSA-N
Molecular Weight 412.394 g/mol
SMILES O[C@](Cc1c(c2c(C(c3c(c(ccc3C2=O)C=O)O)=O)cc1)OC)(CC(=O)OC)C
SPLASH splash10-029t-0093300000-5bd61a34a0896d72aae0
Source of Spectrum B-47-2149-0
Synonyms (R)-4-(6-Formyl-5-hydroxy-1-methoxy-9,10-dioxo-9,10-dihydro-anthracen-2-yl)-3-hydroxy-3-methyl-butyric acid methyl ester Methyl 4-(6-formyl-5-hydroxy-1-methoxy-9,10-anthraquinon-2-yl)-3-hydroxy-3-methylbutanoate Methyl 4-(6-formyl-5-hydroxy-1-methoxy-9,10-dioxo-9,10-dihydro-2-anthracenyl)-3-hydroxy-3-methylbutanoate
Wiley ID 1374392