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(4R,5R,6R,7R)-4,7-DIBENZYLOXYMETHYL-5,6-DIHYDROXY-2-METHYLTHIO-4,5,6,7-TETRAHYDRO-1,3-DIAZEPINIUM-PARA-TOLUENE-SULFONATE
SpectraBase Compound ID LHwDCkfNHc6
InChI InChI=1S/C25H34N2O4S.C7H8O3S/c1-25(2)30-22-20(16-28-14-18-10-6-4-7-11-18)26-24(32-3)27-21(23(22)31-25)17-29-15-19-12-8-5-9-13-19;1-6-2-4-7(5-3-6)11(8,9)10/h4-13,20-24,26-27H,14-17H2,1-3H3;2-5H,1H3,(H,8,9,10)/t20-,21-,22+,23+;/m0./s1
InChIKey OYNIOLOLBLSANC-PQEADEMYSA-N
Mol Weight 630.8 g/mol
Molecular Formula C32H42N2O7S2
Exact Mass 630.243344 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EuYnxotudBr
Name (4R,5R,6R,7R)-4,7-DIBENZYLOXYMETHYL-5,6-DIHYDROXY-2-METHYLTHIO-4,5,6,7-TETRAHYDRO-1,3-DIAZEPINIUM-PARA-TOLUENE-SULFONATE
Compound Number 34
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H42N2O7S2
InChI InChI=1S/C25H34N2O4S.C7H8O3S/c1-25(2)30-22-20(16-28-14-18-10-6-4-7-11-18)26-24(32-3)27-21(23(22)31-25)17-29-15-19-12-8-5-9-13-19;1-6-2-4-7(5-3-6)11(8,9)10/h4-13,20-24,26-27H,14-17H2,1-3H3;2-5H,1H3,(H,8,9,10)/t20-,21-,22+,23+;/m0./s1
InChIKey OYNIOLOLBLSANC-PQEADEMYSA-N
Literature Reference Author Y.L.MERRER,L.GAUZY,C.GRAVIER-PELLETIER,J.C.DEPEZAY
Literature Reference Citation BIOORG.MED.CHEM.,8,307(2000)
Literature Reference DOI 10.1016/S0968-0896(99)00294-1
Molecular Weight 630.815 g/mol
Solvent CDCl3
Source File Reference UWVN20108