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(3S)-3-(2-hydroxy-4-methoxy-phenyl)-8-[(5-hydroxy-6-methoxy-3-phenyl-benzofuran-2-yl)methyl]chroman-7-ol
SpectraBase Compound ID DMW6MHWUoQ1
InChI InChI=1S/C32H28O7/c1-36-21-9-10-22(26(34)13-21)20-12-19-8-11-25(33)23(32(19)38-17-20)15-30-31(18-6-4-3-5-7-18)24-14-27(35)29(37-2)16-28(24)39-30/h3-11,13-14,16,20,33-35H,12,15,17H2,1-2H3/t20-/m1/s1
InChIKey MISLZMBKJVLQPK-HXUWFJFHSA-N
Mol Weight 524.6 g/mol
Molecular Formula C32H28O7
Exact Mass 524.183503 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9UsS69Qi4G
Name (3S)-3-(2-Hydroxy-4-methoxy-phenyl)-8-[(5-hydroxy-6-methoxy-3-phenyl-benzofuran-2-yl)methyl]chroman-7-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.183503235 u
Formula C32H28O7
InChI InChI=1S/C32H28O7/c1-36-21-9-10-22(26(34)13-21)20-12-19-8-11-25(33)23(32(19)38-17-20)15-30-31(18-6-4-3-5-7-18)24-14-27(35)29(37-2)16-28(24)39-30/h3-11,13-14,16,20,33-35H,12,15,17H2,1-2H3/t20-/m1/s1
InChIKey MISLZMBKJVLQPK-HXUWFJFHSA-N
Molecular Weight 524.569 g/mol
SMILES C1(=C(C=2C=C(O)C(=CC2O1)OC)C=1C=CC=CC1)CC1=C2OC[C@](C3=C(C=C(C=C3)OC)O)(CC2=CC=C1O)[H]