![2',3'-O-ISOPROPYLIDENE-5'-O-[7-[(TOL-4-YL)-SULFONYLOXY]-HEPTYL]-ADENOSINE](/api/spectrum/4QN7CnSAuwJ/structure.png?h=300&w=458 "2',3'-O-ISOPROPYLIDENE-5'-O-[7-[(TOL-4-YL)-SULFONYLOXY]-HEPTYL]-ADENOSINE")
| SpectraBase Compound ID | 6Sq4n8lykqx |
|---|---|
| InChI | InChI=1S/C27H37N5O7S/c1-18-9-11-19(12-10-18)40(33,34)36-14-8-6-4-5-7-13-35-15-20-22-23(39-27(2,3)38-22)26(37-20)32-17-31-21-24(28)29-16-30-25(21)32/h9-12,16-17,20,22-23,26H,4-8,13-15H2,1-3H3,(H2,28,29,30)/t20-,22-,23-,26-/m0/s1 |
| InChIKey | LGJFXXSQRHKTGS-SZBRSHHCSA-N |
| Mol Weight | 575.7 g/mol |
| Molecular Formula | C27H37N5O7S |
| Exact Mass | 575.24137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4QN7CnSAuwJ |
|---|---|
| Name | 2',3'-O-ISOPROPYLIDENE-5'-O-[7-[(TOL-4-YL)-SULFONYLOXY]-HEPTYL]-ADENOSINE |
| Compound Number | 11E |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H37N5O7S |
| InChI | InChI=1S/C27H37N5O7S/c1-18-9-11-19(12-10-18)40(33,34)36-14-8-6-4-5-7-13-35-15-20-22-23(39-27(2,3)38-22)26(37-20)32-17-31-21-24(28)29-16-30-25(21)32/h9-12,16-17,20,22-23,26H,4-8,13-15H2,1-3H3,(H2,28,29,30)/t20-,22-,23-,26-/m0/s1 |
| InChIKey | LGJFXXSQRHKTGS-SZBRSHHCSA-N |
| Literature Reference Author | L.POPPE,W.E.HULL,J.RETEY |
| Literature Reference Citation | HELV.CHIM.ACTA,76,2367(1993) |
| Literature Reference DOI | 10.1002/hlca.19930760623 |
| Molecular Weight | 575.680 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSK29 |