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2,5-ANHYDRO-3-O-BENZOYL-4-O-BENZYL-1-[(TERT.-BUTOXYCARBONYL)-AMINO]-1-DEOXY-6-O-(METHYLSULFONYL)-5-C-[(METHYLSULFONYLOXY)-METHYL]-D-ALLITOL
SpectraBase Compound ID Ea7iOJJadU2
InChI InChI=1S/C28H37NO12S2/c1-27(2,3)41-26(31)29-16-22-23(39-25(30)21-14-10-7-11-15-21)24(36-17-20-12-8-6-9-13-20)28(40-22,18-37-42(4,32)33)19-38-43(5,34)35/h6-15,22-24H,16-19H2,1-5H3,(H,29,31)/t22-,23-,24-/m1/s1
InChIKey HUBMCMXWYMSPEC-WXFUMESZSA-N
Mol Weight 643.7 g/mol
Molecular Formula C28H37NO12S2
Exact Mass 643.175718 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Bsq57WZbIhn
Name 2,5-ANHYDRO-3-O-BENZOYL-4-O-BENZYL-1-[(TERT.-BUTOXYCARBONYL)-AMINO]-1-DEOXY-6-O-(METHYLSULFONYL)-5-C-[(METHYLSULFONYLOXY)-METHYL]-D-ALLITOL
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H37NO12S2
InChI InChI=1S/C28H37NO12S2/c1-27(2,3)41-26(31)29-16-22-23(39-25(30)21-14-10-7-11-15-21)24(36-17-20-12-8-6-9-13-20)28(40-22,18-37-42(4,32)33)19-38-43(5,34)35/h6-15,22-24H,16-19H2,1-5H3,(H,29,31)/t22-,23-,24-/m1/s1
InChIKey HUBMCMXWYMSPEC-WXFUMESZSA-N
Literature Reference Author C.ERHAGEN,T.BRYLD,M.RAUNKJAER,S.VOGEL,K.BUCHALOVA,J.WENGEL
Literature Reference Citation EUR.J.ORG.CHEM.,2538(2006)
Molecular Weight 643.721 g/mol
Sample ID 43556
Solvent CDCl3