| SpectraBase Compound ID | E1cosr6GGmC |
|---|---|
| InChI | InChI=1S/C47H60N3O15PSi2/c1-28(2)67(29(3)4)58-27-36-39(64-68(65-67,30(5)6)31(7)8)40(43(59-36)50-25-24-37(49-47(50)54)48-42(51)32-18-12-9-13-19-32)63-46-41(62-45(53)34-22-16-11-17-23-34)38(35(60-46)26-57-66(55)56)61-44(52)33-20-14-10-15-21-33/h9-25,28-31,35-36,38-41,43,46,66H,26-27H2,1-8H3,(H,55,56)(H,48,49,51,54)/t35-,36-,38-,39-,40-,41-,43-,46+/m1/s1 |
| InChIKey | WSSCHOQWXBJQEF-ZNTQXDTFSA-N |
| Mol Weight | 994.1 g/mol |
| Molecular Formula | C47H60N3O15PSi2 |
| Exact Mass | 993.330058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3DFIkfh04l2 |
|---|---|
| Name | 4-N-Benzoyl-3',5'-o-(tetraisopropyldisiloxane-1,3-diyl)-2'-o-(5''-H-phosphonate-2'',3''-di-o-benzoyl-beta-D-ribofuranosyl)-cytidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 993.330058297 u |
| Formula | C47H60N3O15PSi2 |
| InChI | InChI=1S/C47H60N3O15PSi2/c1-28(2)67(29(3)4)58-27-36-39(64-68(65-67,30(5)6)31(7)8)40(43(59-36)50-25-24-37(49-47(50)54)48-42(51)32-18-12-9-13-19-32)63-46-41(62-45(53)34-22-16-11-17-23-34)38(35(60-46)26-57-66(55)56)61-44(52)33-20-14-10-15-21-33/h9-25,28-31,35-36,38-41,43,46,66H,26-27H2,1-8H3,(H,55,56)(H,48,49,51,54)/t35-,36-,38-,39-,40-,41-,43-,46+/m1/s1 |
| InChIKey | WSSCHOQWXBJQEF-ZNTQXDTFSA-N |
| Molecular Weight | 994.147 g/mol |
| Nominal Mass | 993 u |
| SMILES | [C@]12(O[Si](O[Si](OC[C@]1(O[C@]([C@@]2(O[C@]1([C@@]([C@@]([C@](O1)(COP(=O)O)[H])(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=CC=C1)[H])[H])[H])(N1C(=O)N=C(C=C1)NC(=O)C1=CC=CC=C1)[H])[H])(C(C)C)C(C)C)(C(C)C)C(C)C)[H] |