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

*Links on SpectraBase are not permalinks.
(2R,3R,4S,5S,6S)-3,4-Bis(benzyloxy)-2-[(benzyloxy)methyl]-5-(ethynyloxy)-6-(2-methylprop-2-en-1-yl)oxane
SpectraBase Compound ID 72xPwu3aKh9
InChI InChI=1S/C33H36O5/c1-4-35-31-29(20-25(2)3)38-30(24-34-21-26-14-8-5-9-15-26)32(36-22-27-16-10-6-11-17-27)33(31)37-23-28-18-12-7-13-19-28/h1,5-19,29-33H,2,20-24H2,3H3/t29-,30+,31-,32+,33+/m0/s1
InChIKey IEXUKNWLNBNTIK-RGPGAZMKSA-N
Mol Weight 512.6 g/mol
Molecular Formula C33H36O5
Exact Mass 512.256274 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 4V5Ynk9cj3f
Name (2R,3R,4S,5S,6S)-3,4-Bis(benzyloxy)-2-[(benzyloxy)methyl]-5-(ethynyloxy)-6-(2-methylprop-2-en-1-yl)oxane
Appearance Colourless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36O5
InChI InChI=1S/C33H36O5/c1-4-35-31-29(20-25(2)3)38-30(24-34-21-26-14-8-5-9-15-26)32(36-22-27-16-10-6-11-17-27)33(31)37-23-28-18-12-7-13-19-28/h1,5-19,29-33H,2,20-24H2,3H3/t29-,30+,31-,32+,33+/m0/s1
InChIKey IEXUKNWLNBNTIK-RGPGAZMKSA-N
Instrument Name FISSONS VG Autospec
Ionization Type EI
Literature Reference DOI 10.1002/hlca.201900161
Molecular Weight 512.646 g/mol
Optical Rotation [a]D20 = +30.6 (c = 0.960, CHCl3)
Reported Formula C33H36O5
SMILES [C@]1(O[C@]([C@@]([C@]([C@@]1(OCc1ccccc1)[H])(OCc1ccccc1)[H])(OC#C)[H])(CC(=C)C)[H])(COCc1ccccc1)[H]
SPLASH splash10-0006-9100000000-6ff2168eab47c0e35254
Source of Spectrum H-102-11-30
Thin-Layer Chromatography Rf = 0.50 (Et2O/hexane, 1:9)
Wiley ID 1837093