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 |