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(3S)-3-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-hydroxy-7,8-bis(phenylmethoxy)-2H-chromen-4-one

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

(3S)-3-[[3,4-bis(phenylmethoxy)phenyl]methyl]-3-hydroxy-7,8-bis(phenylmethoxy)-2H-chromen-4-one
SpectraBase Compound ID HG2LObwec1M
InChI InChI=1S/C44H38O7/c45-43-37-22-24-39(48-28-33-15-7-2-8-16-33)42(50-30-35-19-11-4-12-20-35)41(37)51-31-44(43,46)26-36-21-23-38(47-27-32-13-5-1-6-14-32)40(25-36)49-29-34-17-9-3-10-18-34/h1-25,46H,26-31H2/t44-/m0/s1
InChIKey TVJTULJRIJHFMI-SJARJILFSA-N
Mol Weight 678.8 g/mol
Molecular Formula C44H38O7
Exact Mass 678.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8Omv3Sj7gEL
Name (3S)-3-[[3,4-bis(Phenylmethoxy)phenyl]methyl]-3-hydroxy-7,8-bis(phenylmethoxy)-2H-chromen-4-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 678.261753557 u
Formula C44H38O7
InChI InChI=1S/C44H38O7/c45-43-37-22-24-39(48-28-33-15-7-2-8-16-33)42(50-30-35-19-11-4-12-20-35)41(37)51-31-44(43,46)26-36-21-23-38(47-27-32-13-5-1-6-14-32)40(25-36)49-29-34-17-9-3-10-18-34/h1-25,46H,26-31H2/t44-/m0/s1
InChIKey TVJTULJRIJHFMI-SJARJILFSA-N
Molecular Weight 678.781 g/mol
SMILES C=12C(=C(OCC3=CC=CC=C3)C(=CC1)OCC=1C=CC=CC1)OC[C@](C2=O)(CC=1C=C(OCC2=CC=CC=C2)C(=CC1)OCC1=CC=CC=C1)O