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3,4,6-Tri-O-benzyl-2-deoxy-D-glucopyranose[1,2-b]naphtho[1,2-e]-1,4-oxathiin

View entire compound with spectra: 1 FTIR

3,4,6-Tri-O-benzyl-2-deoxy-D-glucopyranose[1,2-b]naphtho[1,2-e]-1,4-oxathiin
SpectraBase Compound ID EGFF42HJiXE
InChI InChI=1S/C37H34O5S/c1-4-12-26(13-5-1)22-38-25-32-33(39-23-27-14-6-2-7-15-27)34(40-24-28-16-8-3-9-17-28)36-37(42-32)41-31-21-20-29-18-10-11-19-30(29)35(31)43-36/h1-21,32-34,36-37H,22-25H2/t32-,33-,34-,36+,37-/m0/s1
InChIKey VVCUOIBIPYNENZ-GRNCXJNASA-N
Mol Weight 590.7 g/mol
Molecular Formula C37H34O5S
Exact Mass 590.212695 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8r9BAcyCAjR
Name 3,4,6-tri-o-Benzyl-2-deoxy-D-glucopyranose[1,2-B]naphtho[1,2-E]-1,4-oxathiin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 590.212695364 u
Formula C37H34O5S
InChI InChI=1S/C37H34O5S/c1-4-12-26(13-5-1)22-38-25-32-33(39-23-27-14-6-2-7-15-27)34(40-24-28-16-8-3-9-17-28)36-37(42-32)41-31-21-20-29-18-10-11-19-30(29)35(31)43-36/h1-21,32-34,36-37H,22-25H2/t32-,33-,34-,36+,37-/m0/s1
InChIKey VVCUOIBIPYNENZ-GRNCXJNASA-N
Molecular Weight 590.734 g/mol
SMILES [C@]12([C@](O[C@]([C@@]([C@@]2(OCC2=CC=CC=C2)[H])(OCC2=CC=CC=C2)[H])(COCC2=CC=CC=C2)[H])(OC2=C(S1)C=1C(C=C2)=CC=CC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.912923