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5-(METHYLTHIO)-3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-D-RIBOFURANOSYL)-ISOTHIAZOLE-[4,5-D]-PYRIMIDIN-7(6H)-ONE
SpectraBase Compound ID FdtPpOabcOP
InChI InChI=1S/C33H31N3O5S2/c1-32(2)40-26-23(39-27(28(26)41-32)24-25-29(43-36-24)30(37)35-31(34-25)42-3)19-38-33(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23,26-28H,19H2,1-3H3,(H,34,35,37)/t23-,26-,27+,28-/m0/s1
InChIKey HRMKIYMTIARVSJ-HXVUFMGFSA-N
Mol Weight 613.7 g/mol
Molecular Formula C33H31N3O5S2
Exact Mass 613.170513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7zFUWmrBLEW
Name 5-(METHYLTHIO)-3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-D-RIBOFURANOSYL)-ISOTHIAZOLE-[4,5-D]-PYRIMIDIN-7(6H)-ONE
Compound Number 7-BETA
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H31N3O5S2
InChI InChI=1S/C33H31N3O5S2/c1-32(2)40-26-23(39-27(28(26)41-32)24-25-29(43-36-24)30(37)35-31(34-25)42-3)19-38-33(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23,26-28H,19H2,1-3H3,(H,34,35,37)/t23-,26-,27+,28-/m0/s1
InChIKey HRMKIYMTIARVSJ-HXVUFMGFSA-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 613.746 g/mol
Solvent DMSO-D6
Source File Reference UWCP5147