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(-)-3-O-Allyl-4,5,6-tri-O-benzyl-1-O-(p-methoxybenzyl)-myo-insitol

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

(-)-3-O-Allyl-4,5,6-tri-O-benzyl-1-O-(p-methoxybenzyl)-myo-insitol
SpectraBase Compound ID LfsOOSgk9Ek
InChI InChI=1S/C38H42O7/c1-3-23-41-34-33(39)35(42-27-31-19-21-32(40-2)22-20-31)37(44-25-29-15-9-5-10-16-29)38(45-26-30-17-11-6-12-18-30)36(34)43-24-28-13-7-4-8-14-28/h3-22,33-39H,1,23-27H2,2H3/t33-,34+,35-,36-,37+,38+/m1/s1
InChIKey MLRCAZPIDNVTAZ-HFSACJMFSA-N
Mol Weight 610.7 g/mol
Molecular Formula C38H42O7
Exact Mass 610.293054 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KZVf6z2jkh0
Name (-)-3-o-allyl-4,5,6-tri-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 610.293053685 u
Formula C38H42O7
InChI InChI=1S/C38H42O7/c1-3-23-41-34-33(39)35(42-27-31-19-21-32(40-2)22-20-31)37(44-25-29-15-9-5-10-16-29)38(45-26-30-17-11-6-12-18-30)36(34)43-24-28-13-7-4-8-14-28/h3-22,33-39H,1,23-27H2,2H3/t33-,34+,35-,36-,37+,38+/m1/s1
InChIKey MLRCAZPIDNVTAZ-HFSACJMFSA-N
Molecular Weight 610.747 g/mol
SMILES [C@@]1([C@]([C@](OCC=2C=CC(=CC2)OC)([C@@]([C@@]([C@]1(OCC1=CC=CC=C1)[H])(OCC=C)[H])(O)[H])[H])(OCC1=CC=CC=C1)[H])(OCC1=CC=CC=C1)[H]