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(2'-S,3'-S)-1-D-1-O-[(S)-(+)-O-ACETYLMANDELYL]-3,6-DI-O-BENZYL-4,5-O-(2',3'-DIMETHOXYBUTANE-2',3'-DIYL)-MYO-INOSITOL
SpectraBase Compound ID BBlC5TuHdcJ
InChI InChI=1S/C36H42O11/c1-23(37)44-28(26-19-13-8-14-20-26)34(39)45-30-27(38)29(42-21-24-15-9-6-10-16-24)32-33(31(30)43-22-25-17-11-7-12-18-25)47-36(3,41-5)35(2,40-4)46-32/h6-20,27-33,38H,21-22H2,1-5H3/t27-,28+,29+,30-,31+,32-,33-,35+,36+/m1/s1
InChIKey DFYSEOMYVJGUDK-PSFXDHHTSA-N
Mol Weight 650.7 g/mol
Molecular Formula C36H42O11
Exact Mass 650.272712 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LZH8KIjBzPD
Name (2'-S,3'-S)-1-D-1-O-[(S)-(+)-O-ACETYLMANDELYL]-3,6-DI-O-BENZYL-4,5-O-(2',3'-DIMETHOXYBUTANE-2',3'-DIYL)-MYO-INOSITOL
Compound Number 14
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H42O11
InChI InChI=1S/C36H42O11/c1-23(37)44-28(26-19-13-8-14-20-26)34(39)45-30-27(38)29(42-21-24-15-9-6-10-16-24)32-33(31(30)43-22-25-17-11-7-12-18-25)47-36(3,41-5)35(2,40-4)46-32/h6-20,27-33,38H,21-22H2,1-5H3/t27-,28+,29+,30-,31+,32-,33-,35+,36+/m1/s1
InChIKey DFYSEOMYVJGUDK-PSFXDHHTSA-N
Literature Reference Author A.M.RILEY,V.CORREA,M.F.MAHON,C.W.TAYLOR,B.V.L.POTTER
Literature Reference Citation J.MED.CHEM.,44,2108(2001)
Literature Reference DOI 10.1021/jm0005499
Molecular Weight 650.723 g/mol
Sample ID 44545
Solvent CDCl3