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#36B;N(6)-BENZOYL-9-[3'-O-[(2-CYANOETHOXY)-(DIISOPROPYLAMINO)-PHOSPHINO]-2'-DEOXY-2'-N-[(4-METHOXYPHENYL)-DIPHENYLMETHYL]-ALPHA-L-THREO-FURANOSYL]-ADENINE
SpectraBase Compound ID KU8m5WtbMxa
InChI InChI=1S/2C45H49N8O5P/c2*1-31(2)53(32(3)4)59(57-27-15-26-46)58-38-28-56-44(52-30-49-40-41(47-29-48-42(40)52)50-43(54)33-16-9-6-10-17-33)39(38)51-45(34-18-11-7-12-19-34,35-20-13-8-14-21-35)36-22-24-37(55-5)25-23-36/h2*6-14,16-25,29-32,38-39,44,51H,15,27-28H2,1-5H3,(H,47,48,50,54)/t2*38-,39+,44+,59?/m11/s1
InChIKey FXYDINXCCMVVEW-AFYBHDHTSA-N
Mol Weight 1625.8 g/mol
Molecular Formula C90H98N16O10P2
Exact Mass 1624.712707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1IVKCNwICUT
Name #36B;N(6)-BENZOYL-9-[3'-O-[(2-CYANOETHOXY)-(DIISOPROPYLAMINO)-PHOSPHINO]-2'-DEOXY-2'-N-[(4-METHOXYPHENYL)-DIPHENYLMETHYL]-ALPHA-L-THREO-FURANOSYL]-ADENINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C90H98N16O10P2
InChI InChI=1S/2C45H49N8O5P/c2*1-31(2)53(32(3)4)59(57-27-15-26-46)58-38-28-56-44(52-30-49-40-41(47-29-48-42(40)52)50-43(54)33-16-9-6-10-17-33)39(38)51-45(34-18-11-7-12-19-34,35-20-13-8-14-21-35)36-22-24-37(55-5)25-23-36/h2*6-14,16-25,29-32,38-39,44,51H,15,27-28H2,1-5H3,(H,47,48,50,54)/t2*38-,39+,44+,59?/m11/s1
InChIKey FXYDINXCCMVVEW-AFYBHDHTSA-N
Literature Reference Author M.FERENCIC,G.REDDY,X.WU,S.GUNTHA,J.NANDY,R.KRISHNAMURTHY,A.E SCHENMOSER
Literature Reference Citation CHEM.BIODIV.,1,939(2004)
Literature Reference DOI 10.1002/cbdv.200490083
Molecular Weight 1625.817 g/mol
Solvent CDCl3
Source File Reference UWMS21534