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EXO-4,5-DI-O-ACETYL-3,6-DI-O-BENZYL-1,2-BENZYLIDENE-D-MYO-INOSITOL
SpectraBase Compound ID 9QNtApZc0Pk
InChI InChI=1S/C31H32O8/c1-20(32)36-27-25(34-18-22-12-6-3-7-13-22)29-30(39-31(38-29)24-16-10-5-11-17-24)26(28(27)37-21(2)33)35-19-23-14-8-4-9-15-23/h3-17,25-31H,18-19H2,1-2H3/t25-,26-,27-,28-,29-,30+,31+/m1/s1
InChIKey GEJTYXZPOQAGRU-BVLYGTCKSA-N
Mol Weight 532.6 g/mol
Molecular Formula C31H32O8
Exact Mass 532.209718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4kKGhSI8qI5
Name EXO-4,5-DI-O-ACETYL-3,6-DI-O-BENZYL-1,2-BENZYLIDENE-D-MYO-INOSITOL
Compound Number 49
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H32O8
InChI InChI=1S/C31H32O8/c1-20(32)36-27-25(34-18-22-12-6-3-7-13-22)29-30(39-31(38-29)24-16-10-5-11-17-24)26(28(27)37-21(2)33)35-19-23-14-8-4-9-15-23/h3-17,25-31H,18-19H2,1-2H3/t25-,26-,27-,28-,29-,30+,31+/m1/s1
InChIKey GEJTYXZPOQAGRU-BVLYGTCKSA-N
Literature Reference Author M.A.L.PODESCHWA,O.PLETTENBURG,H.J.ALTENBACH
Literature Reference Citation EUR.J.ORG.CHEM.,3101(2005)
Molecular Weight 532.590 g/mol
Sample ID 29991
Solvent CDCl3