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

*Links on SpectraBase are not permalinks.
tert-Butyl (-)-(3S,4S,5R)-4,5-Bis(benzyloxy)-3,6-dihydroxy-3-(phenylethynyl)hexanethioate
SpectraBase Compound ID G5uuVzuIjvN
InChI InChI=1S/C32H36O5S/c1-31(2,3)37-29(38)21-32(34,20-19-25-13-7-4-8-14-25)30(36-24-27-17-11-6-12-18-27)28(22-33)35-23-26-15-9-5-10-16-26/h4-18,28,30,33-34H,21-24H2,1-3H3/t28-,30+,32-/m1/s1
InChIKey MRUDJAQKHUWXMA-DQQHMPIDSA-N
Mol Weight 532.7 g/mol
Molecular Formula C32H36O5S
Exact Mass 532.228345 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 21E51QJXkm
Name tert-Butyl (-)-(3S,4S,5R)-4,5-Bis(benzyloxy)-3,6-dihydroxy-3-(phenylethynyl)hexanethioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H36O5S
InChI InChI=1S/C32H36O5S/c1-31(2,3)37-29(38)21-32(34,20-19-25-13-7-4-8-14-25)30(36-24-27-17-11-6-12-18-27)28(22-33)35-23-26-15-9-5-10-16-26/h4-18,28,30,33-34H,21-24H2,1-3H3/t28-,30+,32-/m1/s1
InChIKey MRUDJAQKHUWXMA-DQQHMPIDSA-N
Molecular Weight 532.695 g/mol
SMILES OC[C@]([C@@]([C@@](C#Cc1ccccc1)(CC(=S)OC(C)(C)C)O)(OCc1ccccc1)[H])(OCc1ccccc1)[H]
SPLASH splash10-0a6u-9510000000-af5deecec38de5d4b098
Source of Spectrum J-62-8101-25
Synonyms tert-Butyl 4,5-di-O-benzyl-2-deoxy-3-C-(phenylethynyl)-1-thio-D-lyxo-hexonate
Wiley ID 1403639