![N7-Tert.-butoxycarbonyl-2',3'-o-isopropylidene-8-oxoadenosine-5'-[methyl-N-(N-trityl-L-prolyl)-phosphoramidate]](/api/spectrum/EsFbDsc9bwi/structure.png?h=300&w=458 "N7-Tert.-butoxycarbonyl-2',3'-o-isopropylidene-8-oxoadenosine-5'-[methyl-N-(N-trityl-L-prolyl)-phosphoramidate]")
| SpectraBase Compound ID | HaXTMo1NlGP |
|---|---|
| InChI | InChI=1S/2C43H50N7O10P/c2*1-41(2,3)60-40(53)49-32-35(44)45-26-46-36(32)50(39(49)52)38-34-33(58-42(4,5)59-34)31(57-38)25-56-61(54,55-6)47-37(51)30-23-16-24-48(30)43(27-17-10-7-11-18-27,28-19-12-8-13-20-28)29-21-14-9-15-22-29/h2*7-15,17-22,26,30-31,33-34,38H,16,23-25H2,1-6H3,(H2,44,45,46)(H,47,51,54)/t2*30-,31+,33+,34+,38+,61?/m00/s1 |
| InChIKey | RJSJNMSBLARBSE-BSLWXSJJSA-N |
| Mol Weight | 1711.8 g/mol |
| Molecular Formula | C86H100N14O20P2 |
| Exact Mass | 1710.671356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EsFbDsc9bwi |
|---|---|
| Name | N7-Tert.-butoxycarbonyl-2',3'-o-isopropylidene-8-oxoadenosine-5'-[methyl-N-(N-trityl-L-prolyl)-phosphoramidate] |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1710.671355652 u |
| Formula | C86H100N14O20P2 |
| InChI | InChI=1S/2C43H50N7O10P/c2*1-41(2,3)60-40(53)49-32-35(44)45-26-46-36(32)50(39(49)52)38-34-33(58-42(4,5)59-34)31(57-38)25-56-61(54,55-6)47-37(51)30-23-16-24-48(30)43(27-17-10-7-11-18-27,28-19-12-8-13-20-28)29-21-14-9-15-22-29/h2*7-15,17-22,26,30-31,33-34,38H,16,23-25H2,1-6H3,(H2,44,45,46)(H,47,51,54)/t2*30-,31+,33+,34+,38+,61?/m00/s1 |
| InChIKey | RJSJNMSBLARBSE-BSLWXSJJSA-N |
| Molecular Weight | 1711.772 g/mol |
| SMILES | C1=NC2=C(C(=N1)N)N(C(N2[C@]1([C@]2([C@@]([C@](O1)(COP(=O)(OC)NC(=O)[C@@]1(CCCN1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[H])[H])(OC(O2)(C)C)[H])[H])[H])=O)C(=O)OC(C)(C)C.C1=NC2=C(C(=N1)N)N(C(N2[C@]1([C@]2([C@@]([C@](O1)(COP(=O)(OC)NC(=O)[C@]1([H])CCCN1C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)[H])(OC(O2)(C)C)[H])[H])[H])=O)C(=O)OC(C)(C)C |