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5-AMINO-3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-D-RIBOFURANOSYL)-ISOTHIAZOLE-[4,5-D]-PYRIMIDIN-7(6H)-ONE
SpectraBase Compound ID 5MDarPNxI7p
InChI InChI=1S/C32H30N4O5S/c1-31(2)40-25-22(39-26(27(25)41-31)23-24-28(42-36-23)29(37)35-30(33)34-24)18-38-32(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,25-27H,18H2,1-2H3,(H3,33,34,35,37)/t22-,25-,26+,27-/m0/s1
InChIKey GVLDSDRHUIHMMY-IXDWGBGWSA-N
Mol Weight 582.7 g/mol
Molecular Formula C32H30N4O5S
Exact Mass 582.193691 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ImkdiL8BbjC
Name 5-AMINO-3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-D-RIBOFURANOSYL)-ISOTHIAZOLE-[4,5-D]-PYRIMIDIN-7(6H)-ONE
Compound Number 8-BETA
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H30N4O5S
InChI InChI=1S/C32H30N4O5S/c1-31(2)40-25-22(39-26(27(25)41-31)23-24-28(42-36-23)29(37)35-30(33)34-24)18-38-32(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21/h3-17,22,25-27H,18H2,1-2H3,(H3,33,34,35,37)/t22-,25-,26+,27-/m0/s1
InChIKey GVLDSDRHUIHMMY-IXDWGBGWSA-N
Literature Reference Author H.WAMHOFF,R.BERRESSEM,M.NIEGER
Literature Reference Citation J.ORG.CHEM.,59,1912(1994)
Literature Reference DOI 10.1021/jo00086a054
Molecular Weight 582.674 g/mol
Solvent DMSO-D6
Source File Reference UWCP5149