![N6-BENZOYL-2',3'-O-ISOPROPYLIDENE-5'-O-[6-(TETRAHYDRO-2H-PYRAN-2-YL)-HEXYL]-ADENOSINE](/api/spectrum/9IWWtDfHCzD/structure.png?h=300&w=458 "N6-BENZOYL-2',3'-O-ISOPROPYLIDENE-5'-O-[6-(TETRAHYDRO-2H-PYRAN-2-YL)-HEXYL]-ADENOSINE")
| SpectraBase Compound ID | 2pZ5XZvrIjc |
|---|---|
| InChI | InChI=1S/C31H41N5O7/c1-31(2)42-25-22(18-38-15-9-3-4-10-16-39-23-14-8-11-17-40-23)41-30(26(25)43-31)36-20-34-24-27(32-19-33-28(24)36)35-29(37)21-12-6-5-7-13-21/h5-7,12-13,19-20,22-23,25-26,30H,3-4,8-11,14-18H2,1-2H3,(H,32,33,35,37)/t22-,23?,25-,26-,30-/m0/s1 |
| InChIKey | KFJDIEFQBWGLQG-LJJJVMCRSA-N |
| Mol Weight | 595.7 g/mol |
| Molecular Formula | C31H41N5O7 |
| Exact Mass | 595.300599 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9IWWtDfHCzD |
|---|---|
| Name | N6-BENZOYL-2',3'-O-ISOPROPYLIDENE-5'-O-[6-(TETRAHYDRO-2H-PYRAN-2-YL)-HEXYL]-ADENOSINE |
| Compound Number | 8D |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H41N5O7 |
| InChI | InChI=1S/C31H41N5O7/c1-31(2)42-25-22(18-38-15-9-3-4-10-16-39-23-14-8-11-17-40-23)41-30(26(25)43-31)36-20-34-24-27(32-19-33-28(24)36)35-29(37)21-12-6-5-7-13-21/h5-7,12-13,19-20,22-23,25-26,30H,3-4,8-11,14-18H2,1-2H3,(H,32,33,35,37)/t22-,23?,25-,26-,30-/m0/s1 |
| InChIKey | KFJDIEFQBWGLQG-LJJJVMCRSA-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 | 595.696 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWSK14 |