![8-AMINO-[1''-(N''-DANSYL)-4''-AMINOBUTYL]-2',3'-O-ISOPROPYLIDENEADENOSINE](/api/spectrum/AK9ekZYYnTL/structure.png?h=300&w=458 "8-AMINO-[1''-(N''-DANSYL)-4''-AMINOBUTYL]-2',3'-O-ISOPROPYLIDENEADENOSINE")
| SpectraBase Compound ID | UyP2pfdpzv |
|---|---|
| InChI | InChI=1S/C29H38N8O6S/c1-29(2)42-23-20(15-38)41-27(24(23)43-29)37-26-22(25(30)32-16-33-26)35-28(37)31-13-5-6-14-34-44(39,40)21-12-8-9-17-18(21)10-7-11-19(17)36(3)4/h7-12,16,20,23-24,27,34,38H,5-6,13-15H2,1-4H3,(H,31,35)(H2,30,32,33)/t20-,23-,24-,27-/m0/s1 |
| InChIKey | XLBMAZYGXCJLNO-GGHZGINBSA-N |
| Mol Weight | 626.7 g/mol |
| Molecular Formula | C29H38N8O6S |
| Exact Mass | 626.263502 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AK9ekZYYnTL |
|---|---|
| Name | 8-AMINO-[1''-(N''-DANSYL)-4''-AMINOBUTYL]-2',3'-O-ISOPROPYLIDENEADENOSINE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H38N8O6S |
| InChI | InChI=1S/C29H38N8O6S/c1-29(2)42-23-20(15-38)41-27(24(23)43-29)37-26-22(25(30)32-16-33-26)35-28(37)31-13-5-6-14-34-44(39,40)21-12-8-9-17-18(21)10-7-11-19(17)36(3)4/h7-12,16,20,23-24,27,34,38H,5-6,13-15H2,1-4H3,(H,31,35)(H2,30,32,33)/t20-,23-,24-,27-/m0/s1 |
| InChIKey | XLBMAZYGXCJLNO-GGHZGINBSA-N |
| Literature Reference Author | G.PLJEVALJCIC,M.PIGNOT,E.WEINHOLD |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,3486(2003) |
| Literature Reference DOI | 10.1021/ja021106s |
| Molecular Weight | 626.731 g/mol |
| Sample ID | 40807 |
| Solvent | DMSO-D6 |