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6-O-ALLYL-1-O-(PARA-METHOXYBENZYL)-2,3:4,5-DI-O-CYCLOHEXYLIDENE-MYO-INOSITOL

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6-O-ALLYL-1-O-(PARA-METHOXYBENZYL)-2,3:4,5-DI-O-CYCLOHEXYLIDENE-MYO-INOSITOL
SpectraBase Compound ID Hx3E57nFxbu
InChI InChI=1S/C29H40O7/c1-3-18-31-22-23(32-19-20-10-12-21(30-2)13-11-20)25-27(36-29(34-25)16-8-5-9-17-29)26-24(22)33-28(35-26)14-6-4-7-15-28/h3,10-13,22-27H,1,4-9,14-19H2,2H3/t22-,23-,24+,25-,26-,27-/m1/s1
InChIKey HYJBLNMZLYFTNB-ABKQVJMDSA-N
Mol Weight 500.6 g/mol
Molecular Formula C29H40O7
Exact Mass 500.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KzDeUZ3pTcX
Name 6-O-ALLYL-1-O-(PARA-METHOXYBENZYL)-2,3:4,5-DI-O-CYCLOHEXYLIDENE-MYO-INOSITOL
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H40O7
InChI InChI=1S/C29H40O7/c1-3-18-31-22-23(32-19-20-10-12-21(30-2)13-11-20)25-27(36-29(34-25)16-8-5-9-17-29)26-24(22)33-28(35-26)14-6-4-7-15-28/h3,10-13,22-27H,1,4-9,14-19H2,2H3/t22-,23-,24+,25-,26-,27-/m1/s1
InChIKey HYJBLNMZLYFTNB-ABKQVJMDSA-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 500.632 g/mol
Solvent CDCl3
Source File Reference UWLU23315