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Cardinalic acid - 7,8-di-O-acetate
SpectraBase Compound ID EnyUihv1hTs
InChI InChI=1S/C21H16O10/c1-7-5-10-14(17(25)13(7)21(27)28)18(26)15-11(16(10)24)6-12(29-4)19(30-8(2)22)20(15)31-9(3)23/h5-6,25H,1-4H3,(H,27,28)
InChIKey VRHSGJFHEPNCJV-UHFFFAOYSA-N
Mol Weight 428.35 g/mol
Molecular Formula C21H16O10
Exact Mass 428.074347 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Biit6bYHM56
Name Cardinalic acid - 7,8-di-O-acetate
Alternate Name(s) 7,8-bis(Acetyloxy)-1-hydroxy-6-methoxy-2-(hydroxycarbonyl)-3-methylanthraquinone 7,8-bis(acetyloxy)-1-hydroxy-6-methoxy-3-methyl-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid
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Formula C21H16O10
InChI InChI=1S/C21H16O10/c1-7-5-10-14(17(25)13(7)21(27)28)18(26)15-11(16(10)24)6-12(29-4)19(30-8(2)22)20(15)31-9(3)23/h5-6,25H,1-4H3,(H,27,28)
InChIKey VRHSGJFHEPNCJV-UHFFFAOYSA-N
Molecular Weight 428.349 g/mol
SMILES OC(c1c(c2C(c3c(c(c(cc3C(c2cc1C)=O)OC)OC(=O)C)OC(=O)C)=O)O)=O
SPLASH splash10-0a4j-9604000000-b4d0b4b183def03192a5
Source of Spectrum B-51-217-10
Wiley ID 745950