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#23B;ISOMER-II;9-[1',3'-O-ANHYDRO-4'-O-[2-CYANOETHOXY-(DIISOPROPYLAMINO)-PHOSPHINO]-6'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-PSICOFURANOSYL]-N-(2)-(N,N-DIMETHYLAMINO
SpectraBase Compound ID 8CEGOtJSdBN
InChI InChI=1S/C44H53N8O8P/c1-29(2)52(30(3)4)61(58-24-12-23-45)60-38-36(59-43(26-56-39(38)43)51-28-46-37-40(51)48-42(49-41(37)53)47-27-50(5)6)25-57-44(31-13-10-9-11-14-31,32-15-19-34(54-7)20-16-32)33-17-21-35(55-8)22-18-33/h9-11,13-22,27-30,36,38-39H,12,24-26H2,1-8H3,(H,48,49,53)/b47-27+/t36-,38-,39-,43-,61?/m1/s1
InChIKey AKMRGIUXYAKMBV-ZUCAAEGFSA-N
Mol Weight 852.9 g/mol
Molecular Formula C44H53N8O8P
Exact Mass 852.372398 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LlkrgwDacbK
Name #23B;ISOMER-I;9-[1',3'-O-ANHYDRO-4'-O-[2-CYANOETHOXY-(DIISOPROPYLAMINO)-PHOSPHINO]-6'-O-(4,4'-DIMETHOXYTRITYL)-BETA-D-PSICOFURANOSYL]-N-(2)-(N,N-DIMETHYLAMINOM
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H53N8O8P
InChI InChI=1S/C44H53N8O8P/c1-29(2)52(30(3)4)61(58-24-12-23-45)60-38-36(59-43(26-56-39(38)43)51-28-46-37-40(51)48-42(49-41(37)53)47-27-50(5)6)25-57-44(31-13-10-9-11-14-31,32-15-19-34(54-7)20-16-32)33-17-21-35(55-8)22-18-33/h9-11,13-22,27-30,36,38-39H,12,24-26H2,1-8H3,(H,48,49,53)/b47-27+/t36-,38-,39-,43-,61?/m1/s1
InChIKey AKMRGIUXYAKMBV-ZUCAAEGFSA-N
Literature Reference Author P.I.PRADEEPKUMAR,P.CHERUKU,O.PLASHKEVYCH,P.ACHARYA,S.GOHIL,J .CHATTOPADHYAYA
Literature Reference Citation J.AM.CHEM.SOC.,126,11484(2004)
Literature Reference DOI 10.1021/ja048417i
Solvent CDCl3
Source File Reference UWVN31655