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9-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-[(DIMETHYLAMINO)-METHYLIDENE]-9H-ISOGUANINE-3'-TRIETHYLAMMONIUM-PHOSPHONATE
SpectraBase Compound ID FcAC33T4PyH
InChI InChI=1S/C34H37N6O8P.C6H15N/c1-39(2)20-36-31-30-32(38-33(41)37-31)40(21-35-30)29-18-27(48-49(42)43)28(47-29)19-46-34(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24;1-4-7(5-2)6-3/h5-17,20-21,27-29,49H,18-19H2,1-4H3,(H,42,43)(H,37,38,41);4-6H2,1-3H3/b36-20+;/t27-,28+,29+;/m0./s1
InChIKey AOTGUCMIANHTHW-RPICANSZSA-N
Mol Weight 789.9 g/mol
Molecular Formula C40H52N7O8P
Exact Mass 789.361499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KgwsI7HWa3n
Name 9-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-[(DIMETHYLAMINO)-METHYLIDENE]-9H-ISOGUANINE-3'-TRIETHYLAMMONIUM-PHOSPHONATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H52N7O8P
InChI InChI=1S/C34H37N6O8P.C6H15N/c1-39(2)20-36-31-30-32(38-33(41)37-31)40(21-35-30)29-18-27(48-49(42)43)28(47-29)19-46-34(22-8-6-5-7-9-22,23-10-14-25(44-3)15-11-23)24-12-16-26(45-4)17-13-24;1-4-7(5-2)6-3/h5-17,20-21,27-29,49H,18-19H2,1-4H3,(H,42,43)(H,37,38,41);4-6H2,1-3H3/b36-20+;/t27-,28+,29+;/m0./s1
InChIKey AOTGUCMIANHTHW-RPICANSZSA-N
Literature Reference Author F.SEELA,R.MERTENS,Z.KAZIMIERCZUK
Literature Reference Citation HELV.CHIM.ACTA,75,2298(1992)
Literature Reference DOI 10.1002/hlca.19920750716
Molecular Weight 789.869 g/mol
Solvent DMSO-D6
Source File Reference UWCS7961