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1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-4-METHYLSULFANYL-1,2-DIHYDROPYRIMIDIN-2-THIONE
SpectraBase Compound ID FCQUNRqhKaX
InChI InChI=1S/C31H26N2O7S2/c1-42-24-17-18-33(31(41)32-24)27-26(40-30(36)22-15-9-4-10-16-22)25(39-29(35)21-13-7-3-8-14-21)23(38-27)19-37-28(34)20-11-5-2-6-12-20/h2-18,23,25-27H,19H2,1H3/t23-,25-,26-,27-/m0/s1
InChIKey GJRMPPGQVSBIRD-MNUOIFNESA-N
Mol Weight 602.68 g/mol
Molecular Formula C31H26N2O7S2
Exact Mass 602.118144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EBArh0kdlY7
Name 1-(2,3,5-TRI-O-BENZOYL-BETA-D-RIBOFURANOSYL)-4-METHYLSULFANYL-1,2-DIHYDROPYRIMIDIN-2-THIONE
Compound Number 7E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H26N2O7S2
InChI InChI=1S/C31H26N2O7S2/c1-42-24-17-18-33(31(41)32-24)27-26(40-30(36)22-15-9-4-10-16-22)25(39-29(35)21-13-7-3-8-14-21)23(38-27)19-37-28(34)20-11-5-2-6-12-20/h2-18,23,25-27H,19H2,1H3/t23-,25-,26-,27-/m0/s1
InChIKey GJRMPPGQVSBIRD-MNUOIFNESA-N
Literature Reference Author M.S.M.PEARSON,A.ROBIN,N.BOURGOUGNON,J.C.MESLIN,D.DENIAUD
Literature Reference Citation J.ORG.CHEM.,68,8583(2003)
Literature Reference DOI 10.1021/jo034709a
Molecular Weight 602.677 g/mol
Solvent CDCl3
Source File Reference UWVN21089