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Dimethyl trans(1,2),cis(2,3)-6,7-methylenedioxy-1-(3,4-methylenedioxyphenyl)-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Dimethyl trans(1,2),cis(2,3)-6,7-methylenedioxy-1-(3,4-methylenedioxyphenyl)-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
SpectraBase Compound ID DsR41Cgo3Ee
InChI InChI=1S/C22H20O8/c1-25-21(23)14-5-12-7-17-18(30-10-29-17)8-13(12)19(20(14)22(24)26-2)11-3-4-15-16(6-11)28-9-27-15/h3-4,6-8,14,19-20H,5,9-10H2,1-2H3/t14-,19?,20-/m0/s1
InChIKey BBZKROFTJXSKMM-JUJMCKSGSA-N
Mol Weight 412.39 g/mol
Molecular Formula C22H20O8
Exact Mass 412.115818 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9orj6mw53Ds
Name Dimethyl trans(1,2),cis(2,3)-6,7-methylenedioxy-1-(3,4-methylenedioxyphenyl)-1,2,3,4-tetrahydronaphthalene-2,3-dicarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 412.115817596 u
Formula C22H20O8
InChI InChI=1S/C22H20O8/c1-25-21(23)14-5-12-7-17-18(30-10-29-17)8-13(12)19(20(14)22(24)26-2)11-3-4-15-16(6-11)28-9-27-15/h3-4,6-8,14,19-20H,5,9-10H2,1-2H3/t14-,19?,20-/m0/s1
InChIKey BBZKROFTJXSKMM-JUJMCKSGSA-N
Molecular Weight 412.394 g/mol
SMILES C1(C=2C(=CC3=C(C2)OCO3)C[C@@]([C@@]1(C(=O)OC)[H])(C(=O)OC)[H])C=1C=C2OCOC2=CC1