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Methyl 1-(3,4,5-trimethoxyphenyl)-3-hydoxymethyl-4.alpha.-hydroxy-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-hydoxymethyl-4.alpha.-hydroxy-6,7-(methylenedioxy)-1,2,3,4-tetrahydronaphthylene-2-carboxylate isomer
SpectraBase Compound ID 1fihwx7PGcJ
InChI InChI=1S/C23H26O9/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/h5-8,14,19-21,24-25H,9-10H2,1-4H3/t14-,19?,20+,21?/m1/s1
InChIKey HBBWXDGEOJRBFR-FEZODGRUSA-N
Mol Weight 446.45 g/mol
Molecular Formula C23H26O9
Exact Mass 446.157682 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 62flHF6ahQL
Name Methyl 1-(3,4,5-trimethoxyphenyl)-3-hydoxymethyl-4.alpha.-hydroxy-6,7-(methylenedioxy)-1,2,3,4-tetrahydronaphthylene-2-carboxylate isomer
Comments Less than 3 mono-isotopic peaks
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Formula C23H26O9
InChI InChI=1S/C23H26O9/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/h5-8,14,19-21,24-25H,9-10H2,1-4H3/t14-,19?,20+,21?/m1/s1
InChIKey HBBWXDGEOJRBFR-FEZODGRUSA-N
Molecular Weight 446.452 g/mol
SMILES OC1[C@](CO)([C@@](C(c2c1cc1OCOc1c2)c1cc(OC)c(c(c1)OC)OC)(C(=O)OC)[H])[H]
SPLASH splash10-03di-0000900000-1a10c5b7235b9b667014
Source of Spectrum KC-0-2546-34
Synonyms Methyl 1-(3,4,5-trimethoxyphenyl)-3-hydoxymethyl-4-.beta.-hydroxy-6,7-(methylenedioxy)-1,2,3,4-tetrahydronaphthylene-2-carboxylate isomer
Wiley ID 780013