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5'-O-DIMETHOXYTRITYL-3'-O-DIISOPROPYAMIDO(METHOXY)PHOSPHINO-4N-BENZOYL-(1-BETA-D-ARABINOFURANOSYL)CYTOSINE
SpectraBase Compound ID DlKWgta1fra
InChI InChI=1S/C44H51N4O9P/c1-29(2)48(30(3)4)58(54-7)57-40-37(56-42(39(40)49)47-27-26-38(46-43(47)51)45-41(50)31-14-10-8-11-15-31)28-55-44(32-16-12-9-13-17-32,33-18-22-35(52-5)23-19-33)34-20-24-36(53-6)25-21-34/h8-27,29-30,37,39-40,42,49H,28H2,1-7H3,(H,45,46,50,51)/t37-,39+,40-,42-,58?/m1/s1
InChIKey SSJVDVGDFQAELO-AZUNBZADSA-N
Mol Weight 810.9 g/mol
Molecular Formula C44H51N4O9P
Exact Mass 810.339366 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NCeh3hhBEN
Name 5'-O-DIMETHOXYTRITYL-3'-O-DIISOPROPYAMIDO(METHOXY)PHOSPHINO-4N-BENZOYL-(1-BETA-D-ARABINOFURANOSYL)CYTOSINE
Comments , ;VXR-400 (VARIAN)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C44H51N4O9P
InChI InChI=1S/C44H51N4O9P/c1-29(2)48(30(3)4)58(54-7)57-40-37(56-42(39(40)49)47-27-26-38(46-43(47)51)45-41(50)31-14-10-8-11-15-31)28-55-44(32-16-12-9-13-17-32,33-18-22-35(52-5)23-19-33)34-20-24-36(53-6)25-21-34/h8-27,29-30,37,39-40,42,49H,28H2,1-7H3,(H,45,46,50,51)/t37-,39+,40-,42-,58?/m1/s1
InChIKey SSJVDVGDFQAELO-AZUNBZADSA-N
Instrument Name SEE COMMENT
Literature Reference S.SHMIDT, L.G.KUZNETSOVA, E.A.ROMANOVA, A.NIMANN, T.S.ORETSKAYA,N.F.KRYNETSKAYA, V.G.METELEV, Z.A.SHABAROVA (1991) Bioorganich.Khim.(Russ.Lang.): v.17, N6, 823-830.
NMR Standard not reported
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d