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2',3'-O-ISOPROPYLIDENEADENOSINE-5'-[4-[(E)-2-NITROETHENYL]-BENZYL-PENTANEDIOATE]
SpectraBase Compound ID 6BSiw1yDfq3
InChI InChI=1S/C27H30N6O9/c1-27(2)41-22-18(40-26(23(22)42-27)32-15-31-21-24(28)29-14-30-25(21)32)13-39-20(35)5-3-4-19(34)38-12-17-8-6-16(7-9-17)10-11-33(36)37/h6-11,14-15,18,22-23,26H,3-5,12-13H2,1-2H3,(H2,28,29,30)/b11-10+/t18-,22-,23-,26-/m0/s1
InChIKey JGRNYOPSZYLMMB-NXSKUGNPSA-N
Mol Weight 582.57 g/mol
Molecular Formula C27H30N6O9
Exact Mass 582.207427 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 970RR1UrYaQ
Name 2',3'-O-ISOPROPYLIDENEADENOSINE-5'-[4-[(E)-2-NITROETHENYL]-BENZYL-PENTANEDIOATE]
Compound Number 22
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H30N6O9
InChI InChI=1S/C27H30N6O9/c1-27(2)41-22-18(40-26(23(22)42-27)32-15-31-21-24(28)29-14-30-25(21)32)13-39-20(35)5-3-4-19(34)38-12-17-8-6-16(7-9-17)10-11-33(36)37/h6-11,14-15,18,22-23,26H,3-5,12-13H2,1-2H3,(H2,28,29,30)/b11-10+/t18-,22-,23-,26-/m0/s1
InChIKey JGRNYOPSZYLMMB-NXSKUGNPSA-N
Literature Reference Author S.PETERLI,D.HUBMANN,U.SEQUIN,H.METT,P.TRAXLER
Literature Reference Citation HELV.CHIM.ACTA,77,59(1994)
Literature Reference DOI 10.1002/hlca.19940770109
Molecular Weight 582.570 g/mol
Solvent CDCl3
Source File Reference UWVP4214