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3-O-BENZYL-1,4-DIDEOXY-1,4-[[(2S,3S)-2,4-O-BENZYLIDENE-3-(SULFOOXY)-BUTYL]-EPISULFONIUMYLIDENE]-D-ARABINITOL-INNER-SALT
SpectraBase Compound ID 9d5iDQ5Wy7B
InChI InChI=1S/C23H28O9S2/c24-11-21-22(29-12-16-7-3-1-4-8-16)18(25)14-33(21)15-20-19(32-34(26,27)28)13-30-23(31-20)17-9-5-2-6-10-17/h1-10,18-25H,11-15H2/t18-,19-,20+,21-,22+,23?,33?/m1/s1
InChIKey DBTYIQPEPUJSNO-KQVUGNDLSA-N
Mol Weight 512.59 g/mol
Molecular Formula C23H28O9S2
Exact Mass 512.117475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cYR3JnEZEQ
Name 3-O-BENZYL-1,4-DIDEOXY-1,4-[[(2S,3S)-2,4-O-BENZYLIDENE-3-(SULFOOXY)-BUTYL]-EPISULFONIUMYLIDENE]-D-ARABINITOL-INNER-SALT
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H28O9S2
InChI InChI=1S/C23H28O9S2/c24-11-21-22(29-12-16-7-3-1-4-8-16)18(25)14-33(21)15-20-19(32-34(26,27)28)13-30-23(31-20)17-9-5-2-6-10-17/h1-10,18-25H,11-15H2/t18-,19-,20+,21-,22+,23?,33?/m1/s1
InChIKey DBTYIQPEPUJSNO-KQVUGNDLSA-N
Literature Reference Author A.GHAVAMI,B.D.JOHNSTON,B.M.PINTO
Literature Reference Citation J.ORG.CHEM.,66,2312(2001)
Literature Reference DOI 10.1021/jo001444g
Molecular Weight 512.590 g/mol
Solvent CD2Cl2
Source File Reference UWVN24010