![7-[5'-O-BENZYL-3'-DEOXY-3'-(THEOPHYLLIN-7''-YL)-ALPHA-D-LYXOFURANOSYL]-THEOPHYLLINE;MAJOR-ISOMER](/api/spectrum/DzFDjLfJicl/structure.png?h=300&w=458 "7-[5'-O-BENZYL-3'-DEOXY-3'-(THEOPHYLLIN-7''-YL)-ALPHA-D-LYXOFURANOSYL]-THEOPHYLLINE;MAJOR-ISOMER")
| SpectraBase Compound ID | BeE4XX5gnMm |
|---|---|
| InChI | InChI=1S/C26H28N8O7/c1-29-20-17(22(36)31(3)25(29)38)33(12-27-20)16-15(11-40-10-14-8-6-5-7-9-14)41-24(19(16)35)34-13-28-21-18(34)23(37)32(4)26(39)30(21)2/h5-9,12-13,15-16,19,24,35H,10-11H2,1-4H3/t15-,16+,19+,24+/m1/s1 |
| InChIKey | JTUAVVXYSFLPOP-JENQJIHHSA-N |
| Mol Weight | 564.56 g/mol |
| Molecular Formula | C26H28N8O7 |
| Exact Mass | 564.208095 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DzFDjLfJicl |
|---|---|
| Name | 7-[5'-O-BENZYL-3'-DEOXY-3'-(THEOPHYLLIN-7''-YL)-ALPHA-D-LYXOFURANOSYL]-THEOPHYLLINE;MAJOR-ISOMER |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H28N8O7 |
| InChI | InChI=1S/C26H28N8O7/c1-29-20-17(22(36)31(3)25(29)38)33(12-27-20)16-15(11-40-10-14-8-6-5-7-9-14)41-24(19(16)35)34-13-28-21-18(34)23(37)32(4)26(39)30(21)2/h5-9,12-13,15-16,19,24,35H,10-11H2,1-4H3/t15-,16+,19+,24+/m1/s1 |
| InChIKey | JTUAVVXYSFLPOP-JENQJIHHSA-N |
| Literature Reference Author | L.A.D.CIENFUEGOS,A.J.MOTA,R.ROBLES |
| Literature Reference Citation | ORG.LETTERS,7,2161(2005) |
| Literature Reference DOI | 10.1021/ol050496v |
| Molecular Weight | 564.558 g/mol |
| Sample ID | 42848 |
| Solvent | CDCl3 |