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3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-BETA-D-RIBOFURANOSYL)-ISOTHIAZOLO-[4,5-D]-PYRIONIDIN-7(6H)-ONE
SpectraBase Compound ID 3BEr9HEUTAX
InChI InChI=1S/C32H29N3O5S/c1-31(2)39-26-23(38-27(28(26)40-31)24-25-29(41-35-24)30(36)34-19-33-25)18-37-32(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23,26-28H,18H2,1-2H3,(H,33,34,36)/t23-,26-,27+,28-/m0/s1
InChIKey AEOAICXPYOJLPC-HXVUFMGFSA-N
Mol Weight 567.7 g/mol
Molecular Formula C32H29N3O5S
Exact Mass 567.182792 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BLv18b8pVEX
Name 3-(2,3-O-ISOPROPYLIDENE-5-O-TRITYL-BETA-D-RIBOFURANOSYL)-ISOTHIAZOLO-[4,5-D]-PYRIONIDIN-7(6H)-ONE
Compound Number 14-BETA
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H29N3O5S
InChI InChI=1S/C32H29N3O5S/c1-31(2)39-26-23(38-27(28(26)40-31)24-25-29(41-35-24)30(36)34-19-33-25)18-37-32(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,19,23,26-28H,18H2,1-2H3,(H,33,34,36)/t23-,26-,27+,28-/m0/s1
InChIKey AEOAICXPYOJLPC-HXVUFMGFSA-N
Literature Reference Author H.WAMHOFF,R.BERRESSEM,M.NIEGER
Literature Reference Citation J.ORG.CHEM.,58,5181(1993)
Literature Reference DOI 10.1021/jo00071a030
Molecular Weight 567.659 g/mol
Solvent DMSO-D6
Source File Reference UWGE3170