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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 MS (GC)

3,4,6-Tri-O-benzyl-2-deoxy-D-glucopyranose[1,2-b]naphtho[1,2-e]-1,4-oxathiin
SpectraBase Compound ID 1XGQDJbZxFC
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-YHBYFTPGSA-N
Mol Weight 590.7 g/mol
Molecular Formula C37H34O5S
Exact Mass 590.212695 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcB1xC4i4qi
Name 3,4,6-Tri-O-benzyl-2-deoxy-D-glucopyranose[1,2-b]naphtho[1,2-e]-1,4-oxathiin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
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-YHBYFTPGSA-N
Molecular Weight 590.734 g/mol
SMILES [C@]12([C@](O[C@]([C@@]([C@@]2(OCc2ccccc2)[H])(OCc2ccccc2)[H])(COCc2ccccc2)[H])(Oc2c(S1)c1c(cc2)cccc1)[H])[H]
SPLASH splash10-0006-9000000000-4ec26a6797b92853f63b
Source of Spectrum QE-5-1752-4
Wiley ID 844190