![1-[(5'-o-T-Butyldiphenyl)silyl]-3-(2''-methoxycarbonyl)ethyl-2,3-dideoxy-.beta.-D-erythro-pentofuranosyl-N(4)-isobutyrylcytosine](/api/spectrum/AY6svFyKFXo/structure.png?h=300&w=458 "1-[(5'-o-T-Butyldiphenyl)silyl]-3-(2''-methoxycarbonyl)ethyl-2,3-dideoxy-.beta.-D-erythro-pentofuranosyl-N(4)-isobutyrylcytosine")
| SpectraBase Compound ID | 9QJvMlfpyLY |
|---|---|
| InChI | InChI=1S/C33H43N3O6Si/c1-23(2)31(38)34-28-19-20-36(32(39)35-28)29-21-24(17-18-30(37)40-6)27(42-29)22-41-43(33(3,4)5,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,19-20,23-24,27,29H,17-18,21-22H2,1-6H3,(H,34,35,38,39)/t24-,27+,29+/m0/s1 |
| InChIKey | IMXIQQWKRWJJKI-WIDNXDAUSA-N |
| Mol Weight | 605.8 g/mol |
| Molecular Formula | C33H43N3O6Si |
| Exact Mass | 605.292113 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AY6svFyKFXo |
|---|---|
| Name | 1-[(5'-o-T-Butyldiphenyl)silyl]-3-(2''-methoxycarbonyl)ethyl-2,3-dideoxy-.beta.-D-erythro-pentofuranosyl-N(4)-isobutyrylcytosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 605.292112646 u |
| Formula | C33H43N3O6Si |
| InChI | InChI=1S/C33H43N3O6Si/c1-23(2)31(38)34-28-19-20-36(32(39)35-28)29-21-24(17-18-30(37)40-6)27(42-29)22-41-43(33(3,4)5,25-13-9-7-10-14-25)26-15-11-8-12-16-26/h7-16,19-20,23-24,27,29H,17-18,21-22H2,1-6H3,(H,34,35,38,39)/t24-,27+,29+/m0/s1 |
| InChIKey | IMXIQQWKRWJJKI-WIDNXDAUSA-N |
| Molecular Weight | 605.807 g/mol |
| SMILES | C1(N(C=CC(=N1)NC(=O)C(C)C)[C@@]1(O[C@](CO[Si](C(C)(C)C)(C2=CC=CC=C2)C=2C=CC=CC2)([C@](C1)(CCC(=O)OC)[H])[H])[H])=O |