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.alpha.-D-Xylofuranoside, methyl 3,5-bis-O-[(4-chlorophenyl)methyl]-2-O-[(3-methoxyphenyl)methyl]-
SpectraBase Compound ID 7JMl8zwnrcj
InChI InChI=1S/C28H30Cl2O6/c1-31-24-5-3-4-21(14-24)17-35-27-26(34-16-20-8-12-23(30)13-9-20)25(36-28(27)32-2)18-33-15-19-6-10-22(29)11-7-19/h3-14,25-28H,15-18H2,1-2H3/t25-,26+,27-,28+/m1/s1
InChIKey MGFMVCWWVGRSST-GCFVYEKYSA-N
Mol Weight 533.45 g/mol
Molecular Formula C28H30Cl2O6
Exact Mass 532.141944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9J9EC9s9lbe
Name .alpha.-D-Xylofuranoside, methyl 3,5-bis-O-[(4-chlorophenyl)methyl]-2-O-[(3-methoxyphenyl)methyl]-
Alternate Name(s) Methyl 3,5-bis-O-(4-chlorobenzyl)-2-O-(3-methoxybenzyl)-.alpha.-D-xylofuranoside Methyl 3,5-di-O-(4-chlorobenzyl)-2-O-(3-methoxybenzyl)-.alpha.-D-xylofuranoside
CAS Registry Number 114738-16-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H30Cl2O6
InChI InChI=1S/C28H30Cl2O6/c1-31-24-5-3-4-21(14-24)17-35-27-26(34-16-20-8-12-23(30)13-9-20)25(36-28(27)32-2)18-33-15-19-6-10-22(29)11-7-19/h3-14,25-28H,15-18H2,1-2H3/t25-,26+,27-,28+/m1/s1
InChIKey MGFMVCWWVGRSST-GCFVYEKYSA-N
Molecular Weight 533.448 g/mol
SMILES [C@@]1([C@]([C@@](COCc2ccc(cc2)Cl)(O[C@@]1(OC)[H])[H])(OCc1ccc(cc1)Cl)[H])(OCc1cc(OC)ccc1)[H]
SPLASH splash10-00fr-0900000000-5134604d6e56a155bafd
Source of Spectrum J-53-3291-13
Wiley ID 1403584