![6-N-Benzoyl-9-[6-(E/Z)-(tributylstannyl)-5,6-dideoxy-2,3-O-isopropylidene-.beta.,D-ribo-hex-5-enfuranosyl]adenine](/api/spectrum/4PliZjZaiB6/structure.png?h=300&w=458 "6-N-Benzoyl-9-[6-(E/Z)-(tributylstannyl)-5,6-dideoxy-2,3-O-isopropylidene-.beta.,D-ribo-hex-5-enfuranosyl]adenine")
| SpectraBase Compound ID | 8uXJo2X0NL4 |
|---|---|
| InChI | InChI=1S/C21H20N5O4.3C4H9.Sn/c1-4-13-15-16(30-21(2,3)29-15)20(28-13)26-11-24-14-17(22-10-23-18(14)26)25-19(27)12-8-6-5-7-9-12;3*1-3-4-2;/h1,4-11,13,15-16,20H,2-3H3,(H,22,23,25,27);3*1,3-4H2,2H3;/t13-,15?,16+,20-;;;;/m1..../s1 |
| InChIKey | PGRJDMPTQUTPIO-TZJLNEGJSA-N |
| Mol Weight | 696.5 g/mol |
| Molecular Formula | C33H47N5O4Sn |
| Exact Mass | 697.265007 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4PliZjZaiB6 |
|---|---|
| Name | 6-N-Benzoyl-9-[6-(E/Z)-(tributylstannyl)-5,6-dideoxy-2,3-O-isopropylidene-.beta.,D-ribo-hex-5-enfuranosyl]adenine |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H47N5O4Sn |
| InChI | InChI=1S/C21H20N5O4.3C4H9.Sn/c1-4-13-15-16(30-21(2,3)29-15)20(28-13)26-11-24-14-17(22-10-23-18(14)26)25-19(27)12-8-6-5-7-9-12;3*1-3-4-2;/h1,4-11,13,15-16,20H,2-3H3,(H,22,23,25,27);3*1,3-4H2,2H3;/t13-,15?,16+,20-;;;;/m1..../s1 |
| InChIKey | PGRJDMPTQUTPIO-TZJLNEGJSA-N |
| Molecular Weight | 696.481 g/mol |
| SMILES | N(c1c2c([n]([C@]3([C@@]4(C(OC(O4)(C)C)[C@](O3)(C=[CH][Sn](CCCC)(CCCC)CCCC)[H])[H])[H])cn2)ncn1)C(=O)c1ccccc1 |
| SPLASH | splash10-052u-0000309000-108fdaf4b126060d0590 |
| Source of Spectrum | E1-37-3584-2 |
| Wiley ID | 1575318 |