For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(+)-3,4-Di-O-allyl-5,6-di-O-benzyl-1-O-(p-methoxybenzyl)-myo-insitol
SpectraBase Compound ID qzzJIt4a3f
InChI InChI=1S/C34H40O7/c1-4-20-37-30-29(35)31(39-24-27-16-18-28(36-3)19-17-27)33(40-22-25-12-8-6-9-13-25)34(32(30)38-21-5-2)41-23-26-14-10-7-11-15-26/h4-19,29-35H,1-2,20-24H2,3H3/t29-,30+,31-,32-,33+,34+/m1/s1
InChIKey PLBCAEAKDKHTQJ-VREUDQTFSA-N
Mol Weight 560.7 g/mol
Molecular Formula C34H40O7
Exact Mass 560.277404 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID EFNttRfGhdi
Name (+)-3,4-di-o-allyl-5,6-di-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 560.277403621 u
Formula C34H40O7
InChI InChI=1S/C34H40O7/c1-4-20-37-30-29(35)31(39-24-27-16-18-28(36-3)19-17-27)33(40-22-25-12-8-6-9-13-25)34(32(30)38-21-5-2)41-23-26-14-10-7-11-15-26/h4-19,29-35H,1-2,20-24H2,3H3/t29-,30+,31-,32-,33+,34+/m1/s1
InChIKey PLBCAEAKDKHTQJ-VREUDQTFSA-N
Molecular Weight 560.687 g/mol
SMILES [C@]1([C@@]([C@](O)([C@@]([C@]([C@@]1(OCC1=CC=CC=C1)[H])(OCC=C)[H])(OCC=C)[H])[H])(OCC1=CC=C(C=C1)OC)[H])(OCC=1C=CC=CC1)[H]