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1,2,4-TRI-O-BENZOYL-MYO-INOSITOL
SpectraBase Compound ID Lad56dDkL3b
InChI InChI=1S/C27H24O9/c28-19-20(29)23(35-26(32)17-12-6-2-7-13-17)24(36-27(33)18-14-8-3-9-15-18)21(30)22(19)34-25(31)16-10-4-1-5-11-16/h1-15,19-24,28-30H/t19-,20-,21-,22+,23+,24-/m0/s1
InChIKey VCMNAXSEEQVJPM-NOGMDXJMSA-N
Mol Weight 492.48 g/mol
Molecular Formula C27H24O9
Exact Mass 492.142032 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Hc9PsQSf2Le
Name 1,2,4-TRI-O-BENZOYL-MYO-INOSITOL
Compound Number 6H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H24O9
InChI InChI=1S/C27H24O9/c28-19-20(29)23(35-26(32)17-12-6-2-7-13-17)24(36-27(33)18-14-8-3-9-15-18)21(30)22(19)34-25(31)16-10-4-1-5-11-16/h1-15,19-24,28-30H/t19-,20-,21-,22+,23+,24-/m0/s1
InChIKey VCMNAXSEEQVJPM-NOGMDXJMSA-N
Literature Reference Author S.K.CHUNG,Y.U.KWON,J.H.SHIN,Y.T.CHANG,C.LEE,B.G.SHIN,K.C.KIM ,M.J.KIM
Literature Reference Citation J.ORG.CHEM.,67,5626(2002)
Literature Reference DOI 10.1021/jo0257694
Molecular Weight 492.482 g/mol
Solvent CD3OD
Source File Reference UWVN23486