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2',3'-O-ISOPROPYLIDENE-5'-O-[6-[(TOL-4-YL)-SULFONYLOXY]-HEXYL]-ADENOSINE
SpectraBase Compound ID IcykF7BSz6r
InChI InChI=1S/C26H35N5O7S/c1-17-8-10-18(11-9-17)39(32,33)35-13-7-5-4-6-12-34-14-19-21-22(38-26(2,3)37-21)25(36-19)31-16-30-20-23(27)28-15-29-24(20)31/h8-11,15-16,19,21-22,25H,4-7,12-14H2,1-3H3,(H2,27,28,29)/t19-,21-,22-,25-/m0/s1
InChIKey BGCBIERVMQMEHZ-RHQSAMMMSA-N
Mol Weight 561.7 g/mol
Molecular Formula C26H35N5O7S
Exact Mass 561.22572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KPEfpXJLbHj
Name 2',3'-O-ISOPROPYLIDENE-5'-O-[6-[(TOL-4-YL)-SULFONYLOXY]-HEXYL]-ADENOSINE
Compound Number 11D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H35N5O7S
InChI InChI=1S/C26H35N5O7S/c1-17-8-10-18(11-9-17)39(32,33)35-13-7-5-4-6-12-34-14-19-21-22(38-26(2,3)37-21)25(36-19)31-16-30-20-23(27)28-15-29-24(20)31/h8-11,15-16,19,21-22,25H,4-7,12-14H2,1-3H3,(H2,27,28,29)/t19-,21-,22-,25-/m0/s1
InChIKey BGCBIERVMQMEHZ-RHQSAMMMSA-N
Literature Reference Author L.POPPE,W.E.HULL,J.RETEY
Literature Reference Citation HELV.CHIM.ACTA,76,2367(1993)
Literature Reference DOI 10.1002/hlca.19930760623
Molecular Weight 561.653 g/mol
Solvent CDCl3
Source File Reference UWSK28