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METHYL-(S)-(+)-8-HYDROXY-3-(2'-HYDROXYPROPYL)-1,6-DIMETHOXY-9,10-DIOXO-9,10-DIHYDRO-ANTHRACENE-2-CARBOXYLATE
SpectraBase Compound ID 7FinKC3t6Sx
InChI InChI=1S/C21H20O8/c1-9(22)5-10-6-12-17(20(28-3)15(10)21(26)29-4)19(25)16-13(18(12)24)7-11(27-2)8-14(16)23/h6-9,22-23H,5H2,1-4H3/t9-/m0/s1
InChIKey YBRYIEXGGRFWRJ-VIFPVBQESA-N
Mol Weight 400.38 g/mol
Molecular Formula C21H20O8
Exact Mass 400.115818 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ADKgz9Fgb7E
Name 8-Hydroxy-3-[(2S)-2-hydroxypropyl]-1,6-dimethoxy-9,10-dioxo-2-anthracenecarboxylic acid methyl ester
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Formula C21H20O8
InChI InChI=1S/C21H20O8/c1-9(22)5-10-6-12-17(20(28-3)15(10)21(26)29-4)19(25)16-13(18(12)24)7-11(27-2)8-14(16)23/h6-9,22-23H,5H2,1-4H3/t9-/m0/s1
InChIKey YBRYIEXGGRFWRJ-VIFPVBQESA-N
Molecular Weight 400.383 g/mol
SMILES O[C@](Cc1cc2c(C(c3c(cc(cc3C2=O)OC)O)=O)c(c1C(=O)OC)OC)(C)[H]
SPLASH splash10-00di-4009000000-ce19e889955e87c96251
Source of Spectrum KC-0-1221-18
Synonyms 8-Hydroxy-3-[(2S)-2-hydroxypropyl]-9,10-diketo-1,6-dimethoxy-anthracene-2-carboxylic acid methyl ester Methyl 1,6-dimethoxy-8-oxidanyl-9,10-bis(oxidanylidene)-3-[(2S)-2-oxidanylpropyl]anthracene-2-carboxylate Methyl 8-hydroxy-3-[(2S)-2-hydroxypropyl]-1,6-dimethoxy-9,10-dioxo-anthracene-2-carboxylate
Wiley ID 783700