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

*Links on SpectraBase are not permalinks.

.beta.-D-Glucopyranoside, 2-phenylethyl 2-o-.beta.-D-xylopyranosyl-, hexaacetate

View entire compound with spectra: 1 NMR, and 1 FTIR

.beta.-D-Glucopyranoside, 2-phenylethyl 2-o-.beta.-D-xylopyranosyl-, hexaacetate
SpectraBase Compound ID 9ekPYXS2p8A
InChI InChI=1S/C31H40O16/c1-16(32)39-14-24-25(42-18(3)34)27(44-20(5)36)29(30(46-24)38-13-12-22-10-8-7-9-11-22)47-31-28(45-21(6)37)26(43-19(4)35)23(15-40-31)41-17(2)33/h7-11,23-31H,12-15H2,1-6H3/t23-,24-,25-,26+,27+,28-,29-,30-,31+/m1/s1
InChIKey APVKZOOUHJESBB-DOBRNWPASA-N
Mol Weight 668.6 g/mol
Molecular Formula C31H40O16
Exact Mass 668.231635 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 8JmV7bwpehL
Name .beta.-D-Glucopyranoside, 2-phenylethyl 2-o-.beta.-D-xylopyranosyl-, hexaacetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 668.231635192 u
Formula C31H40O16
InChI InChI=1S/C31H40O16/c1-16(32)39-14-24-25(42-18(3)34)27(44-20(5)36)29(30(46-24)38-13-12-22-10-8-7-9-11-22)47-31-28(45-21(6)37)26(43-19(4)35)23(15-40-31)41-17(2)33/h7-11,23-31H,12-15H2,1-6H3/t23-,24-,25-,26+,27+,28-,29-,30-,31+/m1/s1
InChIKey APVKZOOUHJESBB-DOBRNWPASA-N
SMILES [C@@]1(OCCC2=CC=CC=C2)([C@](O[C@]2([C@@]([C@]([C@@](CO2)(OC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])([C@]([C@@]([C@](O1)(COC(C)=O)[H])(OC(C)=O)[H])(OC(C)=O)[H])[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973428