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(+)-2,4,5,6-Tetra-O-benzyl-1-O-(p-methoxybenzyl)-myo-insitol

View entire compound with spectra: 1 MS (GC)

(+)-2,4,5,6-Tetra-O-benzyl-1-O-(p-methoxybenzyl)-myo-insitol
SpectraBase Compound ID JnW8kAI6n9c
InChI InChI=1S/C42H44O7/c1-44-36-24-22-35(23-25-36)30-48-41-39(46-27-32-16-8-3-9-17-32)37(43)38(45-26-31-14-6-2-7-15-31)40(47-28-33-18-10-4-11-19-33)42(41)49-29-34-20-12-5-13-21-34/h2-25,37-43H,26-30H2,1H3/t37-,38-,39+,40+,41+,42-/m1/s1
InChIKey DSQWTVVXQOJKOM-ZSIJVUTGSA-N
Mol Weight 660.8 g/mol
Molecular Formula C42H44O7
Exact Mass 660.308704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3W5snhbj469
Name (+)-2,4,5,6-Tetra-O-benzyl-1-O-(p-methoxybenzyl)-myo-insitol
Alternate Name(s) (1R,2R,3S,4R,5S,6S)-2,3,4,6-tetrakis(benzyloxy)-5-[(4-methoxybenzyl)oxy]cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C42H44O7
InChI InChI=1S/C42H44O7/c1-44-36-24-22-35(23-25-36)30-48-41-39(46-27-32-16-8-3-9-17-32)37(43)38(45-26-31-14-6-2-7-15-31)40(47-28-33-18-10-4-11-19-33)42(41)49-29-34-20-12-5-13-21-34/h2-25,37-43H,26-30H2,1H3/t37-,38-,39+,40+,41+,42-/m1/s1
InChIKey DSQWTVVXQOJKOM-ZSIJVUTGSA-N
Molecular Weight 660.807 g/mol
SMILES O[C@]1([C@@]([C@@]([C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OCc1ccc(cc1)OC)[H])(OCc1ccccc1)[H])[H]
SPLASH splash10-00di-0900021000-d09d0b373db1e12b60d9
Source of Spectrum J-61-5907-10
Wiley ID 1413591