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(3Z)-1-acetyl-3-[(6-methoxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-6-(2,4,5-trimethoxy-3-methyl-benzyl)piperazine-2,5-quinone
SpectraBase Compound ID Gd6X8bXfm2g
InChI InChI=1S/C27H30N2O9/c1-13-22(34-5)17(10-20(33-4)24(13)36-7)9-19-26(31)28-18(27(32)29(19)15(3)30)8-16-11-21-25(38-12-37-21)14(2)23(16)35-6/h8,10-11,19H,9,12H2,1-7H3,(H,28,31)/b18-8-
InChIKey ZRQPPJQLQCBQBX-LSCVHKIXSA-N
Mol Weight 526.54 g/mol
Molecular Formula C27H30N2O9
Exact Mass 526.195131 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPA6pRG0WFp
Name (3Z)-1-acetyl-3-[(6-methoxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-6-(2,4,5-trimethoxy-3-methyl-benzyl)piperazine-2,5-quinone
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Formula C27H30N2O9
InChI InChI=1S/C27H30N2O9/c1-13-22(34-5)17(10-20(33-4)24(13)36-7)9-19-26(31)28-18(27(32)29(19)15(3)30)8-16-11-21-25(38-12-37-21)14(2)23(16)35-6/h8,10-11,19H,9,12H2,1-7H3,(H,28,31)/b18-8-
InChIKey ZRQPPJQLQCBQBX-LSCVHKIXSA-N
Molecular Weight 526.542 g/mol
SMILES N1\C(C(N(C(C1=O)Cc1c(c(C)c(c(c1)OC)OC)OC)C(=O)C)=O)=C/c1c(c(C)c2c(c1)OCO2)OC
SPLASH splash10-0002-0900030000-4a091f2d38dfed3b230c
Source of Spectrum KC-0-60-11
Synonyms (3Z)-1-acetyl-3-[(6-methoxy-7-methyl-1,3-benzodioxol-5-yl)methylene]-6-[(2,4,5-trimethoxy-3-methyl-phenyl)methyl]piperazine-2,5-dione (3Z)-1-acetyl-3-[(6-methoxy-7-methyl-1,3-benzodioxol-5-yl)methylidene]-6-[(2,4,5-trimethoxy-3-methylphenyl)methyl]piperazine-2,5-dione (3Z)-1-ethanoyl-3-[(6-methoxy-7-methyl-1,3-benzodioxol-5-yl)methylidene]-6-[(2,4,5-trimethoxy-3-methyl-phenyl)methyl]piperazine-2,5-dione
Wiley ID 787025