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2-CYANOETHYL-BENZYL-3-O-BENZOYL-ALPHA-D-XYLOPYRANOSIDE-2,4-CYCLIC-PHOSPHATE
SpectraBase Compound ID 2j33ODlXh0i
InChI InChI=1S/C22H22NO8P/c23-12-7-13-28-32(25)30-18-15-27-22(26-14-16-8-3-1-4-9-16)20(31-32)19(18)29-21(24)17-10-5-2-6-11-17/h1-6,8-11,18-20,22H,7,13-15H2/t18-,19+,20-,22+,32+/m1/s1
InChIKey ZJBABPITXPQSNM-LXRODUFZSA-N
Mol Weight 459.39 g/mol
Molecular Formula C22H22NO8P
Exact Mass 459.108304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5LO263btsKG
Name 2-CYANOETHYL-BENZYL-3-O-BENZOYL-ALPHA-D-XYLOPYRANOSIDE-2,4-CYCLIC-PHOSPHATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22NO8P
InChI InChI=1S/C22H22NO8P/c23-12-7-13-28-32(25)30-18-15-27-22(26-14-16-8-3-1-4-9-16)20(31-32)19(18)29-21(24)17-10-5-2-6-11-17/h1-6,8-11,18-20,22H,7,13-15H2/t18-,19+,20-,22+,32+/m1/s1
InChIKey ZJBABPITXPQSNM-LXRODUFZSA-N
Literature Reference Author J.M.SMITH,V.BORSENBERGER,J.RAFTERY,J.D.SUTHERLAND
Literature Reference Citation CHEM.BIODIV.,1,1418(2004)
Literature Reference DOI 10.1002/cbdv.200490105
Molecular Weight 459.392 g/mol
Solvent CDCl3
Source File Reference UWMS21478