![8-AMINO-[1''-(N''-DANSYL)-4''-AMINOBUTYL]-2',3'-O-ISOPROPYLIDENE-5'-O-MESYLADENOSINE](/api/spectrum/FZ8eaVgXAPh/structure.png?h=300&w=458 "8-AMINO-[1''-(N''-DANSYL)-4''-AMINOBUTYL]-2',3'-O-ISOPROPYLIDENE-5'-O-MESYLADENOSINE")
| SpectraBase Compound ID | 43M69WmLMHd |
|---|---|
| InChI | InChI=1S/C30H40N8O8S2/c1-30(2)45-24-21(16-43-47(5,39)40)44-28(25(24)46-30)38-27-23(26(31)33-17-34-27)36-29(38)32-14-6-7-15-35-48(41,42)22-13-9-10-18-19(22)11-8-12-20(18)37(3)4/h8-13,17,21,24-25,28,35H,6-7,14-16H2,1-5H3,(H,32,36)(H2,31,33,34)/t21-,24-,25-,28-/m0/s1 |
| InChIKey | IKEVMEGOAHZFNT-WWZJJOFDSA-N |
| Mol Weight | 704.8 g/mol |
| Molecular Formula | C30H40N8O8S2 |
| Exact Mass | 704.241053 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FZ8eaVgXAPh |
|---|---|
| Name | 8-AMINO-[1''-(N''-DANSYL)-4''-AMINOBUTYL]-2',3'-O-ISOPROPYLIDENE-5'-O-MESYLADENOSINE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C30H40N8O8S2 |
| InChI | InChI=1S/C30H40N8O8S2/c1-30(2)45-24-21(16-43-47(5,39)40)44-28(25(24)46-30)38-27-23(26(31)33-17-34-27)36-29(38)32-14-6-7-15-35-48(41,42)22-13-9-10-18-19(22)11-8-12-20(18)37(3)4/h8-13,17,21,24-25,28,35H,6-7,14-16H2,1-5H3,(H,32,36)(H2,31,33,34)/t21-,24-,25-,28-/m0/s1 |
| InChIKey | IKEVMEGOAHZFNT-WWZJJOFDSA-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 | 704.816 g/mol |
| Sample ID | 40808 |
| Solvent | CDCl3 |