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(2R,3R,4S,5R,6R)-2-allyloxy-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran

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

(2R,3R,4S,5R,6R)-2-allyloxy-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran
SpectraBase Compound ID 45yAkMu9mFD
InChI InChI=1S/C37H40O6/c1-2-23-39-37-36(42-27-32-21-13-6-14-22-32)35(41-26-31-19-11-5-12-20-31)34(40-25-30-17-9-4-10-18-30)33(43-37)28-38-24-29-15-7-3-8-16-29/h2-22,33-37H,1,23-28H2/t33-,34-,35+,36-,37-/m1/s1
InChIKey LFXIXGYQTQLJCK-KHKVHWIZSA-N
Mol Weight 580.7 g/mol
Molecular Formula C37H40O6
Exact Mass 580.282489 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KA1UCdwKaM0
Name (2R,3R,4S,5R,6R)-2-Allyloxy-3,4,5-tribenzoxy-6-(benzoxymethyl)tetrahydropyran
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 580.282489002 u
Formula C37H40O6
InChI InChI=1S/C37H40O6/c1-2-23-39-37-36(42-27-32-21-13-6-14-22-32)35(41-26-31-19-11-5-12-20-31)34(40-25-30-17-9-4-10-18-30)33(43-37)28-38-24-29-15-7-3-8-16-29/h2-22,33-37H,1,23-28H2/t33-,34-,35+,36-,37-/m1/s1
InChIKey LFXIXGYQTQLJCK-KHKVHWIZSA-N
Molecular Weight 580.721 g/mol
SMILES [C@@]1([C@]([C@](OCC2=CC=CC=C2)([C@](O[C@]1(OCC=C)[H])(COCC1=CC=CC=C1)[H])[H])(OCC=1C=CC=CC1)[H])(OCC=1C=CC=CC1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.887265