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O-Benzoyl-5-O-isopropylidene-1,2-C-p-toluenesulfonyloxymethyl-3-alpha-D-xylofurannose
SpectraBase Compound ID CJTsxPzIvKn
InChI InChI=1S/C23H26O9S/c1-15-9-11-17(12-10-15)33(26,27)29-14-23(25)18(30-21-19(23)31-22(2,3)32-21)13-28-20(24)16-7-5-4-6-8-16/h4-12,18-19,21,25H,13-14H2,1-3H3/t18-,19+,21-,23+/m1/s1
InChIKey PCMODAVXXWGSLJ-XZYOPWHXSA-N
Mol Weight 478.51 g/mol
Molecular Formula C23H26O9S
Exact Mass 478.129754 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 37QR8Gw82mk
Name O-Benzoyl-5-O-isopropylidene-1,2-C-p-toluenesulfonyloxymethyl-3-alpha-D-xylofurannose
CAS Registry Number 64775-12-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H26O9S
InChI InChI=1S/C23H26O9S/c1-15-9-11-17(12-10-15)33(26,27)29-14-23(25)18(30-21-19(23)31-22(2,3)32-21)13-28-20(24)16-7-5-4-6-8-16/h4-12,18-19,21,25H,13-14H2,1-3H3/t18-,19+,21-,23+/m1/s1
InChIKey PCMODAVXXWGSLJ-XZYOPWHXSA-N
Molecular Weight 478.512 g/mol
SMILES O[C@@]1([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1(COC(=O)c1ccccc1)[H])[H])[H])COS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0a4i-6901100000-493319e5fa13ab67c0fb
Source of Spectrum H-60-1987-8
Wiley ID 1394676