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7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid methyl ester
SpectraBase Compound ID 31Glt86ZbLm
InChI InChI=1S/C23H26O8/c1-26-18-7-13(8-19(27-2)22(18)28-3)20-15-9-17-16(30-11-31-17)6-12(15)5-14(10-24)21(20)23(25)29-4/h6-9,14,20-21,24H,5,10-11H2,1-4H3/t14-,20-,21+/m1/s1
InChIKey MXGHOMGUPJFHLU-IFZYUDKTSA-N
Mol Weight 430.45 g/mol
Molecular Formula C23H26O8
Exact Mass 430.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4SbTRLg4OPh
Name 7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid methyl ester
Comments Less than 3 mono-isotopic peaks
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Formula C23H26O8
InChI InChI=1S/C23H26O8/c1-26-18-7-13(8-19(27-2)22(18)28-3)20-15-9-17-16(30-11-31-17)6-12(15)5-14(10-24)21(20)23(25)29-4/h6-9,14,20-21,24H,5,10-11H2,1-4H3/t14-,20-,21+/m1/s1
InChIKey MXGHOMGUPJFHLU-IFZYUDKTSA-N
Molecular Weight 430.453 g/mol
SMILES OC[C@]1(Cc2c([C@@](c3cc(OC)c(c(c3)OC)OC)([C@]1(C(=O)OC)[H])[H])cc1c(OCO1)c2)[H]
SPLASH splash10-0002-0009400000-896b5ba8b47a51afc34e
Source of Spectrum KC-0-2544-25
Synonyms 7-methylol-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylic acid methyl ester methyl 7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxole-6-carboxylate methyl 7-(hydroxymethyl)-5-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphtho[2,3-d][1,3]dioxole-6-carboxylate
Wiley ID 780020