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rel-(3'R,5'R)-Bis(2,5-dimethoxyphenyl)-1'',3''-dihydrodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-indene]-1'',3''-diol
SpectraBase Compound ID BJkgusOl1sg
InChI InChI=1S/C32H36O8/c1-35-19-9-11-27(37-3)23(15-19)25-17-31(39-13-14-40-31)18-26(24-16-20(36-2)10-12-28(24)38-4)32(25)29(33)21-7-5-6-8-22(21)30(32)34/h5-12,15-16,25-26,29-30,33-34H,13-14,17-18H2,1-4H3/t25-,26-,29?,30?/m0/s1
InChIKey WQDBTTFZNSMIQD-DQXSBBCTSA-N
Mol Weight 548.6 g/mol
Molecular Formula C32H36O8
Exact Mass 548.241018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JwTHM47Kjp
Name rel-(3'R,5'R)-Bis(2,5-dimethoxyphenyl)-1'',3''-dihydrodispiro[1,3-dioxolane-2,1'-cyclohexane-4',2''-indene]-1'',3''-diol
Appearance Colorless solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 548.241018111 u
Formula C32H36O8
InChI InChI=1S/C32H36O8/c1-35-19-9-11-27(37-3)23(15-19)25-17-31(39-13-14-40-31)18-26(24-16-20(36-2)10-12-28(24)38-4)32(25)29(33)21-7-5-6-8-22(21)30(32)34/h5-12,15-16,25-26,29-30,33-34H,13-14,17-18H2,1-4H3/t25-,26-,29?,30?/m0/s1
InChIKey WQDBTTFZNSMIQD-DQXSBBCTSA-N
Instrument Name Fisons VG Autospec
Ionization Type EI positive ion
Literature Reference DOI 10.1002/anie.201707505
Molecular Weight 548.632 g/mol
Quality 784
SMILES OC1C2=C(C(C11[C@@](CC3(C[C@]1(C1=CC(=CC=C1OC)OC)[H])OCCO3)(C1=C(C=CC(=C1)OC)OC)[H])O)C=CC=C2
SPLASH splash10-01pk-1791110000-ef94d5e5b0838ba20a8a
Sample Comments Mixture of diastereomers
Source of Spectrum ACI-56-SM42-20 (DOI: 10.1002/anie.201707505)
Thin-Layer Chromatography 0.45 (hexane/EtOAc, 1:1)
Wiley ID 1896373