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(2R,3R)-2-(4-acetoxy-3-methoxy-phenyl)-5-[(E)-3-keto-3-methoxy-prop-1-enyl]-7-methoxy-coumaran-3-carboxylic acid methyl ester
SpectraBase Compound ID CEYy2TFChcn
InChI InChI=1S/C24H24O9/c1-13(25)32-17-8-7-15(12-18(17)28-2)22-21(24(27)31-5)16-10-14(6-9-20(26)30-4)11-19(29-3)23(16)33-22/h6-12,21-22H,1-5H3/b9-6+/t21-,22+/m1/s1
InChIKey QSDYHBKBAJWODO-ZUJPCKDCSA-N
Mol Weight 456.45 g/mol
Molecular Formula C24H24O9
Exact Mass 456.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ZtfMcOUUqK
Name (2R,3R)-2-(4-acetoxy-3-methoxy-phenyl)-5-[(E)-3-keto-3-methoxy-prop-1-enyl]-7-methoxy-coumaran-3-carboxylic acid methyl ester
Alternate Name(s) (2R,3R)-2-(4-acetyloxy-3-methoxyphenyl)-7-methoxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylic acid methyl ester Methyl (2R,3R)-2-(4-acetoxy-3-methoxy-phenyl)-7-methoxy-5-[(E)-3-methoxy-3-oxo-prop-1-enyl]-2,3-dihydrobenzofuran-3-carboxylate Methyl (2R,3R)-2-(4-acetyloxy-3-methoxy-phenyl)-7-methoxy-5-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate Methyl (2R,3R)-2-(4-acetyloxy-3-methoxyphenyl)-7-methoxy-5-[(E)-3-methoxy-3-oxoprop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate
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Formula C24H24O9
InChI InChI=1S/C24H24O9/c1-13(25)32-17-8-7-15(12-18(17)28-2)22-21(24(27)31-5)16-10-14(6-9-20(26)30-4)11-19(29-3)23(16)33-22/h6-12,21-22H,1-5H3/b9-6+/t21-,22+/m1/s1
InChIKey QSDYHBKBAJWODO-ZUJPCKDCSA-N
Molecular Weight 456.447 g/mol
SMILES [C@]1([C@@](Oc2c1cc(\C=C\C(=O)OC)cc2OC)(c1cc(OC)c(cc1)OC(=O)C)[H])(C(=O)OC)[H]
SPLASH splash10-0pc0-0108900000-b345a8a9d7f2347339ac
Source of Spectrum G4-59-626-5
Wiley ID 1606386