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PARA-TOLYL-4,6-O-(PARA-CHLOROBENZYLIDENE)-2-O-(4-AZIDO-2,2-DIMETHYLBUTANOYL)-3-O-LEVULINYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
SpectraBase Compound ID A6MUKBFzqMe
InChI InChI=1S/C31H36ClN3O8S/c1-18-5-12-22(13-6-18)44-29-27(43-30(38)31(3,4)15-16-34-35-33)26(41-24(37)14-7-19(2)36)25-23(40-29)17-39-28(42-25)20-8-10-21(32)11-9-20/h5-6,8-13,23,25-29H,7,14-17H2,1-4H3/t23-,25-,26+,27-,28-,29+/m0/s1
InChIKey UBJZPMXORWQJKV-JSOTUBQBSA-N
Mol Weight 646.2 g/mol
Molecular Formula C31H36ClN3O8S
Exact Mass 645.191164 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EsEyRSnKgRs
Name PARA-TOLYL-4,6-O-(PARA-CHLOROBENZYLIDENE)-2-O-(4-AZIDO-2,2-DIMETHYLBUTANOYL)-3-O-LEVULINYL-1-THIO-BETA-D-GLUCOPYRANOSIDE
Compound Number 31
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36ClN3O8S
InChI InChI=1S/C31H36ClN3O8S/c1-18-5-12-22(13-6-18)44-29-27(43-30(38)31(3,4)15-16-34-35-33)26(41-24(37)14-7-19(2)36)25-23(40-29)17-39-28(42-25)20-8-10-21(32)11-9-20/h5-6,8-13,23,25-29H,7,14-17H2,1-4H3/t23-,25-,26+,27-,28-,29+/m0/s1
InChIKey UBJZPMXORWQJKV-JSOTUBQBSA-N
Literature Reference Author A.R.D.JONG,A.G.VOLBEDA,B.HAGEN,H.V.D.ELST,H.S.OVERKLEEFT,G.A .V.D.MAREL
Literature Reference Citation EUR.J.ORG.CHEM.,2013,6644(2013)
Literature Reference DOI 10.1002/ejoc.201301055
Molecular Weight 646.155 g/mol
Solvent CDCl3
Source File Reference UWBT20588