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3-Furanmethanol, 2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydro-3-hydroxy-, [2S-(2.alpha.,3.beta.,4.alpha.)]-

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3-Furanmethanol, 2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydro-3-hydroxy-, [2S-(2.alpha.,3.beta.,4.alpha.)]-
SpectraBase Compound ID Do0pBNdEjlt
InChI InChI=1S/C22H28O7/c1-25-17-7-5-14(10-19(17)27-3)9-16-12-29-21(22(16,24)13-23)15-6-8-18(26-2)20(11-15)28-4/h5-8,10-11,16,21,23-24H,9,12-13H2,1-4H3/t16-,21-,22-/m0/s1
InChIKey PPCGRFMDVPOOHI-SSKFGXFMSA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H28O7
Exact Mass 404.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EfYOBDpS2no
Name 3-Furanmethanol, 2-(3,4-dimethoxyphenyl)-4-[(3,4-dimethoxyphenyl)methyl]tetrahydro-3-hydroxy-, [2S-(2.alpha.,3.beta.,4.alpha.)]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.183503235 u
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-25-17-7-5-14(10-19(17)27-3)9-16-12-29-21(22(16,24)13-23)15-6-8-18(26-2)20(11-15)28-4/h5-8,10-11,16,21,23-24H,9,12-13H2,1-4H3/t16-,21-,22-/m0/s1
InChIKey PPCGRFMDVPOOHI-SSKFGXFMSA-N
Molecular Weight 404.459 g/mol
SMILES [C@@]1([C@@](OC[C@@]1(CC=1C=C(OC)C(=CC1)OC)[H])(C=1C=C(OC)C(=CC1)OC)[H])(O)CO