![9-[2'-DEOXY-5'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-ERYTHRO-PENTOFURANOSYL]-6-[(DIMETHYLAMINO)-METHYLIDENE]-9H-ISOGUANINE-3'-TRIETHYLAMMONIUM-PHOSPHONATE](/api/spectrum/KgwsI7HWa3n/structure.png?h=300&w=458 "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
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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 |