| SpectraBase Compound ID | FRNv7NfrMvY |
|---|---|
| InChI | InChI=1S/C45H62N5O15PSi2/c1-24(2)39(51)48-45-47-38-33(40(52)49-45)46-23-50(38)41-36(35-32(59-41)22-58-67(25(3)4,26(5)6)65-68(64-35,27(7)8)28(9)10)63-44-37(62-43(54)30-19-15-12-16-20-30)34(31(60-44)21-57-66(55)56)61-42(53)29-17-13-11-14-18-29/h11-20,23-28,31-32,34-37,41,44,66H,21-22H2,1-10H3,(H,55,56)(H2,47,48,49,51,52)/t31-,32+,34-,35+,36+,37-,41+,44+/m0/s1 |
| InChIKey | HZGSCDPXNWNGPG-XNTORMJUSA-N |
| Mol Weight | 1000.2 g/mol |
| Molecular Formula | C45H62N5O15PSi2 |
| Exact Mass | 999.351856 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4rViC0WTAJf |
|---|---|
| Name | 2-N-Isobutyryl-3',5'-o-(tetraisopropyldisiloxane-1,3-diyl)-2'-o-(5''-H-phosphonate-2'',3''-di-o-benzoyl-beta-D-ribofuranosyl)-guanosine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 999.351856369 u |
| Formula | C45H62N5O15PSi2 |
| InChI | InChI=1S/C45H62N5O15PSi2/c1-24(2)39(51)48-45-47-38-33(40(52)49-45)46-23-50(38)41-36(35-32(59-41)22-58-67(25(3)4,26(5)6)65-68(64-35,27(7)8)28(9)10)63-44-37(62-43(54)30-19-15-12-16-20-30)34(31(60-44)21-57-66(55)56)61-42(53)29-17-13-11-14-18-29/h11-20,23-28,31-32,34-37,41,44,66H,21-22H2,1-10H3,(H,55,56)(H2,47,48,49,51,52)/t31-,32+,34-,35+,36+,37-,41+,44+/m0/s1 |
| InChIKey | HZGSCDPXNWNGPG-XNTORMJUSA-N |
| Molecular Weight | 1000.155 g/mol |
| Nominal Mass | 999 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=2N=C(NC(=O)C(C)C)NC(C2N=C1)=O)[H])[H])(C(C)C)C(C)C)(C(C)C)C(C)C)[H] |