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(+)-3,4,5-Tri-O-allyl-6-O-benzyl-1-O-(p-methoxybenzyl)-myo-insitol

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(+)-3,4,5-Tri-O-allyl-6-O-benzyl-1-O-(p-methoxybenzyl)-myo-insitol
SpectraBase Compound ID UHFRVfhXxA
InChI InChI=1S/C30H38O7/c1-5-17-33-26-25(31)27(36-21-23-13-15-24(32-4)16-14-23)29(37-20-22-11-9-8-10-12-22)30(35-19-7-3)28(26)34-18-6-2/h5-16,25-31H,1-3,17-21H2,4H3/t25-,26+,27-,28-,29+,30+/m1/s1
InChIKey ODAZEKZTIJJIQD-KWKLTRBOSA-N
Mol Weight 510.6 g/mol
Molecular Formula C30H38O7
Exact Mass 510.261754 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K030i1EgqQR
Name (+)-3,4,5-tri-o-allyl-6-o-benzyl-1-o-(p-methoxybenzyl)-myo-insitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 510.261753557 u
Formula C30H38O7
InChI InChI=1S/C30H38O7/c1-5-17-33-26-25(31)27(36-21-23-13-15-24(32-4)16-14-23)29(37-20-22-11-9-8-10-12-22)30(35-19-7-3)28(26)34-18-6-2/h5-16,25-31H,1-3,17-21H2,4H3/t25-,26+,27-,28-,29+,30+/m1/s1
InChIKey ODAZEKZTIJJIQD-KWKLTRBOSA-N
Molecular Weight 510.627 g/mol
SMILES [C@]1([C@@]([C@@](OCC=C)([C@@]([C@]([C@]1(O)[H])(OCC=C)[H])(OCC=C)[H])[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=C(C=C1)OC)[H]