![#10;3'-DEOXY-3'-C-[[(2-CYANOETHOXY)-(DIISOPROPYLAMINO)-PHOSPHINYL]-METHYL]-5'-O-(4-METHOXYTRITYL)-2'-O-METHYL-4-N-(N-METHYLPYRROLIDIN-2-YLENE)-5-METHYLCYTIDINE](/api/spectrum/B1eDJv3TCWc/structure.png?h=300&w=458 "#10;3'-DEOXY-3'-C-[[(2-CYANOETHOXY)-(DIISOPROPYLAMINO)-PHOSPHINYL]-METHYL]-5'-O-(4-METHOXYTRITYL)-2'-O-METHYL-4-N-(N-METHYLPYRROLIDIN-2-YLENE)-5-METHYLCYTIDINE")
| SpectraBase Compound ID | 5DAJLnoerrP |
|---|---|
| InChI | InChI=1S/2C46H59N6O6P/c2*1-32(2)52(33(3)4)59(57-28-16-26-47)31-39-40(58-44(42(39)55-8)51-29-34(5)43(49-45(51)53)48-41-21-15-27-50(41)6)30-56-46(35-17-11-9-12-18-35,36-19-13-10-14-20-36)37-22-24-38(54-7)25-23-37/h2*9-14,17-20,22-25,29,32-33,39-40,42,44H,15-16,21,27-28,30-31H2,1-8H3/b2*48-41+/t2*39-,40-,42-,44-,59?/m00/s1 |
| InChIKey | GMSMPCNHHQGSTK-HCWHIGJFSA-N |
| Mol Weight | 1646.0 g/mol |
| Molecular Formula | C92H118N12O12P2 |
| Exact Mass | 1644.846741 g/mol |
31P Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B1eDJv3TCWc |
|---|---|
| Name | #10;3'-DEOXY-3'-C-[[(2-CYANOETHOXY)-(DIISOPROPYLAMINO)-PHOSPHINYL]-METHYL]-5'-O-(4-METHOXYTRITYL)-2'-O-METHYL-4-N-(N-METHYLPYRROLIDIN-2-YLENE)-5-METHYLCYTIDINE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C92H118N12O12P2 |
| InChI | InChI=1S/2C46H59N6O6P/c2*1-32(2)52(33(3)4)59(57-28-16-26-47)31-39-40(58-44(42(39)55-8)51-29-34(5)43(49-45(51)53)48-41-21-15-27-50(41)6)30-56-46(35-17-11-9-12-18-35,36-19-13-10-14-20-36)37-22-24-38(54-7)25-23-37/h2*9-14,17-20,22-25,29,32-33,39-40,42,44H,15-16,21,27-28,30-31H2,1-8H3/b2*48-41+/t2*39-,40-,42-,44-,59?/m00/s1 |
| InChIKey | GMSMPCNHHQGSTK-HCWHIGJFSA-N |
| Literature Reference Author | H.AN,T.WANG,M.A.MAIER,M.MANOHARAN,B.S.ROSS,P.D.COOK |
| Literature Reference Citation | J.ORG.CHEM.,66,2789(2001) |
| Literature Reference DOI | 10.1021/jo001699u |
| Solvent | CDCl3 |
| Source File Reference | UWLU26702 |