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ENDO-3,6-DI-O-BENZYL-1,2-BENZYLIDENE-D-MYO-INOSITOL
SpectraBase Compound ID 4sYEuIYpSdm
InChI InChI=1S/C27H28O6/c28-21-22(29)24(31-17-19-12-6-2-7-13-19)26-25(23(21)30-16-18-10-4-1-5-11-18)32-27(33-26)20-14-8-3-9-15-20/h1-15,21-29H,16-17H2/t21-,22-,23+,24+,25-,26+,27-/m0/s1
InChIKey WHTHXQVKNXWLRZ-HAGPKJFTSA-N
Mol Weight 448.52 g/mol
Molecular Formula C27H28O6
Exact Mass 448.188589 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9MnrOfVc522
Name ENDO-3,6-DI-O-BENZYL-1,2-BENZYLIDENE-D-MYO-INOSITOL
Compound Number (+)-34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28O6
InChI InChI=1S/C27H28O6/c28-21-22(29)24(31-17-19-12-6-2-7-13-19)26-25(23(21)30-16-18-10-4-1-5-11-18)32-27(33-26)20-14-8-3-9-15-20/h1-15,21-29H,16-17H2/t21-,22-,23+,24+,25-,26+,27-/m0/s1
InChIKey WHTHXQVKNXWLRZ-HAGPKJFTSA-N
Literature Reference Author M.A.L.PODESCHWA,O.PLETTENBURG,H.J.ALTENBACH
Literature Reference Citation EUR.J.ORG.CHEM.,3101(2005)
Molecular Weight 448.516 g/mol
Sample ID 29990
Solvent DMSO-D6