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3,7-ANHYDRO-4,5,6-TRI-O-BENZOYL-1,2-DIDEOXY-8-O-(4-TOLYLSULFONYL)-D-GLYCERO-D-GULO-OCT-1-ENITOL

View entire compound with spectra: 1 NMR

3,7-ANHYDRO-4,5,6-TRI-O-BENZOYL-1,2-DIDEOXY-8-O-(4-TOLYLSULFONYL)-D-GLYCERO-D-GULO-OCT-1-ENITOL
SpectraBase Compound ID BQQcppUUq1V
InChI InChI=1S/C36H32O10S/c1-3-29-31(44-34(37)25-13-7-4-8-14-25)33(46-36(39)27-17-11-6-12-18-27)32(45-35(38)26-15-9-5-10-16-26)30(43-29)23-42-47(40,41)28-21-19-24(2)20-22-28/h3-22,29-33H,1,23H2,2H3/t29-,30+,31-,32+,33+/m1/s1
InChIKey YHFOTIIEOYDHNR-LNALEXQMSA-N
Mol Weight 656.7 g/mol
Molecular Formula C36H32O10S
Exact Mass 656.171618 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zmJvVSD5lm
Name 3,7-ANHYDRO-4,5,6-TRI-O-BENZOYL-1,2-DIDEOXY-8-O-(4-TOLYLSULFONYL)-D-GLYCERO-D-GULO-OCT-1-ENITOL
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H32O10S
InChI InChI=1S/C36H32O10S/c1-3-29-31(44-34(37)25-13-7-4-8-14-25)33(46-36(39)27-17-11-6-12-18-27)32(45-35(38)26-15-9-5-10-16-26)30(43-29)23-42-47(40,41)28-21-19-24(2)20-22-28/h3-22,29-33H,1,23H2,2H3/t29-,30+,31-,32+,33+/m1/s1
InChIKey YHFOTIIEOYDHNR-LNALEXQMSA-N
Literature Reference Author S.JUERS,B.WERSCHKUN,J.THIEM
Literature Reference Citation EUR.J.ORG.CHEM.,4451(2006)
Molecular Weight 656.704 g/mol
Sample ID 44155
Solvent CDCl3