![(1S,2R,4R)-4-(2,6-DIAMINO-9H-PURIN-9-YL)-2-[(TRIPHENYLMETHOXY)-METHYL]-CYCLOPENT-1-YL-TRIETHYLAMMONIUM-SULFATE](/api/spectrum/4ePWXBr8YoU/structure.png?h=300&w=458 "(1S,2R,4R)-4-(2,6-DIAMINO-9H-PURIN-9-YL)-2-[(TRIPHENYLMETHOXY)-METHYL]-CYCLOPENT-1-YL-TRIETHYLAMMONIUM-SULFATE")
| SpectraBase Compound ID | 59QtDuw9D89 |
|---|---|
| InChI | InChI=1S/C30H30N6O5S.C6H15N/c31-27-26-28(35-29(32)34-27)36(19-33-26)24-16-20(25(17-24)41-42(37,38)39)18-40-30(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-4-7(5-2)6-3/h1-15,19-20,24-25H,16-18H2,(H,37,38,39)(H4,31,32,34,35);4-6H2,1-3H3/t20-,24-,25+;/m0./s1 |
| InChIKey | GQTCCLZJCVMVTA-LTMXTJMQSA-N |
| Mol Weight | 687.86 g/mol |
| Molecular Formula | C36H45N7O5S |
| Exact Mass | 687.320289 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4ePWXBr8YoU |
|---|---|
| Name | (1S,2R,4R)-4-(2,6-DIAMINO-9H-PURIN-9-YL)-2-[(TRIPHENYLMETHOXY)-METHYL]-CYCLOPENT-1-YL-TRIETHYLAMMONIUM-SULFATE |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H45N7O5S |
| InChI | InChI=1S/C30H30N6O5S.C6H15N/c31-27-26-28(35-29(32)34-27)36(19-33-26)24-16-20(25(17-24)41-42(37,38)39)18-40-30(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-4-7(5-2)6-3/h1-15,19-20,24-25H,16-18H2,(H,37,38,39)(H4,31,32,34,35);4-6H2,1-3H3/t20-,24-,25+;/m0./s1 |
| InChIKey | GQTCCLZJCVMVTA-LTMXTJMQSA-N |
| Literature Reference Author | H.LANG,H.E.MOSER |
| Literature Reference Citation | HELV.CHIM.ACTA,77,1527(1994) |
| Literature Reference DOI | 10.1002/hlca.19940770608 |
| Molecular Weight | 687.857 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVP4565 |