| SpectraBase Compound ID | 43Lfwp2YG8g |
|---|---|
| InChI | InChI=1S/C60H60N7O17P/c1-37(2)53(69)65-59-64-52-47(54(70)66-59)63-36-67(52)55-50(48(68)45(80-55)34-76-60(40-20-12-7-13-21-40,41-22-26-43(74-3)27-23-41)42-24-28-44(75-4)29-25-42)84-58-51(83-57(72)39-18-10-6-11-19-39)49(82-56(71)38-16-8-5-9-17-38)46(81-58)35-79-85(73,77-32-14-30-61)78-33-15-31-62/h5-13,16-29,36-37,45-46,48-51,55,58,68H,14-15,32-35H2,1-4H3,(H2,64,65,66,69,70)/t45-,46-,48-,49-,50-,51-,55-,58+/m1/s1 |
| InChIKey | YCWBZKKNAVFDDL-ALMKOSHMSA-N |
| Mol Weight | 1182.1 g/mol |
| Molecular Formula | C60H60N7O17P |
| Exact Mass | 1181.37833 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EGJSfwtcBCI |
|---|---|
| Name | 2-N-Isobutyryl-5'-o-(4,4'-dimethoxytrityl)-2'-o-(5''-dicyanoethyl-phosphotriester-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 | 1181.378330481 u |
| Formula | C60H60N7O17P |
| InChI | InChI=1S/C60H60N7O17P/c1-37(2)53(69)65-59-64-52-47(54(70)66-59)63-36-67(52)55-50(48(68)45(80-55)34-76-60(40-20-12-7-13-21-40,41-22-26-43(74-3)27-23-41)42-24-28-44(75-4)29-25-42)84-58-51(83-57(72)39-18-10-6-11-19-39)49(82-56(71)38-16-8-5-9-17-38)46(81-58)35-79-85(73,77-32-14-30-61)78-33-15-31-62/h5-13,16-29,36-37,45-46,48-51,55,58,68H,14-15,32-35H2,1-4H3,(H2,64,65,66,69,70)/t45-,46-,48-,49-,50-,51-,55-,58+/m1/s1 |
| InChIKey | YCWBZKKNAVFDDL-ALMKOSHMSA-N |
| Molecular Weight | 1182.146 g/mol |
| SMILES | [C@@]1(O)([C@]([C@@](O[C@@]1(COC(C1=CC=C(C=C1)OC)(C1=CC=C(C=C1)OC)C1=CC=CC=C1)[H])(N1C=2N=C(NC(=O)C(C)C)NC(C2N=C1)=O)[H])(O[C@]1([C@@]([C@@]([C@](O1)(COP(=O)(OCCC#N)OCCC#N)[H])(OC(=O)C1=CC=CC=C1)[H])(OC(=O)C1=CC=CC=C1)[H])[H])[H])[H] |