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Methyl 1-(3,4,5-trimethoxyphenyl)-3-.beta.-hydroxymethyl-4-oxo-6,7-(methylenedioxy)-1,2,3,4-tetrahydronaphthylene-2-carboxylate isomer

View entire compound with spectra: 2 MS (GC)

Methyl 1-(3,4,5-trimethoxyphenyl)-3-.beta.-hydroxymethyl-4-oxo-6,7-(methylenedioxy)-1,2,3,4-tetrahydronaphthylene-2-carboxylate isomer
SpectraBase Compound ID 9js9FnywcTm
InChI InChI=1S/C23H24O9/c1-27-17-5-11(6-18(28-2)22(17)29-3)19-12-7-15-16(32-10-31-15)8-13(12)21(25)14(9-24)20(19)23(26)30-4/h5-8,14,19-20,24H,9-10H2,1-4H3/t14-,19?,20+/m1/s1
InChIKey ZOGBVXILEBPEES-XKCBZBSRSA-N
Mol Weight 444.44 g/mol
Molecular Formula C23H24O9
Exact Mass 444.142032 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QdmBHOpSWd
Name Methyl 1-(3,4,5-trimethoxyphenyl)-3-.beta.-hydroxymethyl-4-oxo-6,7-(methylenedioxy)-1,2,3,4-tetrahydronaphthylene-2-carboxylate isomer
Comments Less than 3 mono-isotopic peaks
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Formula C23H24O9
InChI InChI=1S/C23H24O9/c1-27-17-5-11(6-18(28-2)22(17)29-3)19-12-7-15-16(32-10-31-15)8-13(12)21(25)14(9-24)20(19)23(26)30-4/h5-8,14,19-20,24H,9-10H2,1-4H3/t14-,19?,20+/m1/s1
InChIKey ZOGBVXILEBPEES-XKCBZBSRSA-N
Molecular Weight 444.436 g/mol
SMILES OC[C@]1(C(c2c(C([C@]1(C(=O)OC)[H])c1cc(OC)c(c(c1)OC)OC)cc1OCOc1c2)=O)[H]
SPLASH splash10-004i-0000900000-ce3452a4ab9bd9974fab
Source of Spectrum KC-0-2546-35
Synonyms Methyl 1-(3,4,5-trimethoxyphenyl)-3-.alpha.hydroxymethyl-4-oxo-6,7-(methylenedioxy)-1,2,3,4-tetrahydronaphthylene-2-carboxylate isomer
Wiley ID 780012