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(+)-6-O-ALLYL-1-O-(PARA-METHOXYBENZYL)-4,5-DI-O-BENZYL-MYO-INOSITOL
SpectraBase Compound ID 7W95viLSalI
InChI InChI=1S/C31H36O7/c1-3-18-35-30-28(37-21-24-14-16-25(34-2)17-15-24)26(32)27(33)29(36-19-22-10-6-4-7-11-22)31(30)38-20-23-12-8-5-9-13-23/h3-17,26-33H,1,18-21H2,2H3/t26-,27+,28-,29-,30+,31+/m1/s1
InChIKey QAVLDZXIVZZZSL-JGFOKGIPSA-N
Mol Weight 520.6 g/mol
Molecular Formula C31H36O7
Exact Mass 520.246103 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ClAtV2AOch5
Name (+)-6-O-ALLYL-1-O-(PARA-METHOXYBENZYL)-4,5-DI-O-BENZYL-MYO-INOSITOL
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36O7
InChI InChI=1S/C31H36O7/c1-3-18-35-30-28(37-21-24-14-16-25(34-2)17-15-24)26(32)27(33)29(36-19-22-10-6-4-7-11-22)31(30)38-20-23-12-8-5-9-13-23/h3-17,26-33H,1,18-21H2,2H3/t26-,27+,28-,29-,30+,31+/m1/s1
InChIKey QAVLDZXIVZZZSL-JGFOKGIPSA-N
Literature Reference Author J.XUE,N.SHAO,Z.GUO
Literature Reference Citation J.ORG.CHEM.,68,4020(2003)
Literature Reference DOI 10.1021/jo034213t
Molecular Weight 520.623 g/mol
Solvent CDCl3
Source File Reference UWLU23317