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2,3,5-TRI-O-BENZYL-1,4-DIDEOXY-1,4-[[(2R,3R)-2,4-BENZYLIDENEDIOXY-3-(SULFOXY)-BUTYL]-EPISELENONIUMYLIDENE]-D-ARABINITOL-INNER-SALT

View entire compound with spectra: 1 NMR

2,3,5-TRI-O-BENZYL-1,4-DIDEOXY-1,4-[[(2R,3R)-2,4-BENZYLIDENEDIOXY-3-(SULFOXY)-BUTYL]-EPISELENONIUMYLIDENE]-D-ARABINITOL-INNER-SALT
SpectraBase Compound ID IwFthB3CSNi
InChI InChI=1S/C37H40O9SSe/c38-47(39,40)46-32-24-44-37(31-19-11-4-12-20-31)45-33(32)26-48-27-34(42-22-29-15-7-2-8-16-29)36(43-23-30-17-9-3-10-18-30)35(48)25-41-21-28-13-5-1-6-14-28/h1-20,32-37H,21-27H2/t32-,33+,34+,35+,36-,37?,48?/m1/s1
InChIKey PHEAJUGKVIIZAI-PCRBPPRJSA-N
Mol Weight 739.7 g/mol
Molecular Formula C37H40O9SSe
Exact Mass 740.155826 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ePJnUBu2rE
Name 2,3,5-TRI-O-BENZYL-1,4-DIDEOXY-1,4-[[(2R,3R)-2,4-BENZYLIDENEDIOXY-3-(SULFOXY)-BUTYL]-EPISELENONIUMYLIDENE]-D-ARABINITOL-INNER-SALT
Compound Number 22-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C37H40O9SSe
InChI InChI=1S/C37H40O9SSe/c38-47(39,40)46-32-24-44-37(31-19-11-4-12-20-31)45-33(32)26-48-27-34(42-22-29-15-7-2-8-16-29)36(43-23-30-17-9-3-10-18-30)35(48)25-41-21-28-13-5-1-6-14-28/h1-20,32-37H,21-27H2/t32-,33+,34+,35+,36-,37?,48?/m1/s1
InChIKey PHEAJUGKVIIZAI-PCRBPPRJSA-N
Literature Reference Author B.D.JOHNSTON,A.GHAVAMI,M.T.JENSEN,B.SVENSSON,B.M.PINTO
Literature Reference Citation J.AM.CHEM.SOC.,124,8245(2002)
Literature Reference DOI 10.1021/ja020299g
Molecular Weight 739.739 g/mol
Sample ID 34015
Solvent CD2Cl2