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(-)-3-{[2-(N-Ethoxycarbonyl-N-methylaminoethyl)-6-methoxy-4,5-methylenedioxyphenyl]hydroxymethyl}-6,7-dimethoxy-1(3H)-isobenzofuranone
SpectraBase Compound ID H6f9H3M2usx
InChI InChI=1S/C25H29NO10/c1-6-33-25(29)26(2)10-9-13-11-16-22(35-12-34-16)23(32-5)17(13)19(27)20-14-7-8-15(30-3)21(31-4)18(14)24(28)36-20/h7-8,11,19-20,27H,6,9-10,12H2,1-5H3
InChIKey RXQYLMGHDSDEJE-UHFFFAOYSA-N
Mol Weight 503.5 g/mol
Molecular Formula C25H29NO10
Exact Mass 503.179146 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBeBzkz562v
Name (-)-3-{[2-(N-Ethoxycarbonyl-N-methylaminoethyl)-6-methoxy-4,5-methylenedioxyphenyl]hydroxymethyl}-6,7-dimethoxy-1(3H)-isobenzofuranone
Alternate Name(s) (-)-3-{[2-(.beta.-Ethoxycarbonyl-N-methylaminoethyl)-6-methoxy-4,5-methylenedioxyphenyl]hydroxymethyl}-6,7-dimethoxy-1(3H)-isobenzofuranone Ethyl 2-{6-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)(hydroxy)methyl]-7-methoxy-1,3-benzodioxol-5-yl}ethyl(methyl)carbamate
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Formula C25H29NO10
InChI InChI=1S/C25H29NO10/c1-6-33-25(29)26(2)10-9-13-11-16-22(35-12-34-16)23(32-5)17(13)19(27)20-14-7-8-15(30-3)21(31-4)18(14)24(28)36-20/h7-8,11,19-20,27H,6,9-10,12H2,1-5H3
InChIKey RXQYLMGHDSDEJE-UHFFFAOYSA-N
Molecular Weight 503.504 g/mol
SMILES OC(c1c(c2OCOc2cc1CCN(C(=O)OCC)C)OC)C1c2c(C(O1)=O)c(c(cc2)OC)OC
SPLASH splash10-0cfu-0953000000-a68644b12d4dcfa9f904
Source of Spectrum E1-39-1948-6
Wiley ID 1518927