![(S)-c-4-[6'-(Benzoylamino)-9' H-purin-9'-yl]-t-2-{[(t-butyl)diphenylsilyloxy]methyl})cyclopentane-1-ethyl thioacetate](/api/spectrum/1XAbI7ShqvI/structure.png?h=300&w=458 "(S)-c-4-[6'-(Benzoylamino)-9' H-purin-9'-yl]-t-2-{[(t-butyl)diphenylsilyloxy]methyl})cyclopentane-1-ethyl thioacetate")
| SpectraBase Compound ID | 4CScvUXqIXO |
|---|---|
| InChI | InChI=1S/C38H43N5O3SSi/c1-5-45-33(47)23-28-21-30(43-26-41-35-34(43)36(40-25-39-35)42-37(44)27-15-9-6-10-16-27)22-29(28)24-46-48(38(2,3)4,31-17-11-7-12-18-31)32-19-13-8-14-20-32/h6-20,25-26,28-30H,5,21-24H2,1-4H3,(H,39,40,42,44)/t28-,29-,30-/m1/s1 |
| InChIKey | HCIRIPFXFZLXIA-IDZRBWSNSA-N |
| Mol Weight | 677.9 g/mol |
| Molecular Formula | C38H43N5O3SSi |
| Exact Mass | 677.285588 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1XAbI7ShqvI |
|---|---|
| Name | (S)-C-4-[6'-(Benzoylamino)-9' H-purin-9'-yl]-T-2-{[(T-butyl)diphenylsilyloxy]methyl})cyclopentane-1-ethyl thioacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 677.285587971 u |
| Formula | C38H43N5O3SSi |
| InChI | InChI=1S/C38H43N5O3SSi/c1-5-45-33(47)23-28-21-30(43-26-41-35-34(43)36(40-25-39-35)42-37(44)27-15-9-6-10-16-27)22-29(28)24-46-48(38(2,3)4,31-17-11-7-12-18-31)32-19-13-8-14-20-32/h6-20,25-26,28-30H,5,21-24H2,1-4H3,(H,39,40,42,44)/t28-,29-,30-/m1/s1 |
| InChIKey | HCIRIPFXFZLXIA-IDZRBWSNSA-N |
| Molecular Weight | 677.939 g/mol |
| SMILES | C=12N(C=NC1N=CN=C2NC(=O)C1=CC=CC=C1)[C@@]1(C[C@](CC(=S)OCC)([C@](C1)(CO[Si](C(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1)[H])[H])[H] |