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

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2,3,5-TRI-O-BENZYL-1,4-DIDEOXY-1,4-[[(2S,3S)-2,4-DI-(BENZYLOXY)-3-(SULFOXY)-BUTYL]-EPISELENONIUMYLIDENE]-D-ARABINITOL-INNER-SALT
SpectraBase Compound ID K8RL4OtkJWF
InChI InChI=1S/C44H48O9SSe/c45-54(46,47)53-40(31-48-26-35-16-6-1-7-17-35)41(50-28-37-20-10-3-11-21-37)33-55-34-42(51-29-38-22-12-4-13-23-38)44(52-30-39-24-14-5-15-25-39)43(55)32-49-27-36-18-8-2-9-19-36/h1-25,40-44H,26-34H2/t40-,41-,42+,43+,44-,55?/m1/s1
InChIKey RHRQZXOGLKXPBY-ZVVHOESCSA-N
Mol Weight 831.9 g/mol
Molecular Formula C44H48O9SSe
Exact Mass 832.218426 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATBA36QVE7F
Name 2,3,5-TRI-O-BENZYL-1,4-DIDEOXY-1,4-[[(2S,3S)-2,4-DI-(BENZYLOXY)-3-(SULFOXY)-BUTYL]-EPISELENONIUMYLIDENE]-D-ARABINITOL-INNER-SALT
Compound Number 20-TRANS
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H48O9SSe
InChI InChI=1S/C44H48O9SSe/c45-54(46,47)53-40(31-48-26-35-16-6-1-7-17-35)41(50-28-37-20-10-3-11-21-37)33-55-34-42(51-29-38-22-12-4-13-23-38)44(52-30-39-24-14-5-15-25-39)43(55)32-49-27-36-18-8-2-9-19-36/h1-25,40-44H,26-34H2/t40-,41-,42+,43+,44-,55?/m1/s1
InChIKey RHRQZXOGLKXPBY-ZVVHOESCSA-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 831.880 g/mol
Sample ID 34012
Solvent CDCl3