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5'-O-DIMETHOXYTRITYL-3'-O-METHYLTHIOPHOSPHORYL-2'-DEOXY-N6-BENZOYLADENINE, ANION
SpectraBase Compound ID D4voubulOpk
InChI InChI=1S/C39H38N5O8PS/c1-48-30-18-14-28(15-19-30)39(27-12-8-5-9-13-27,29-16-20-31(49-2)21-17-29)50-23-33-32(52-53(46,47)54-3)22-34(51-33)44-25-42-35-36(40-24-41-37(35)44)43-38(45)26-10-6-4-7-11-26/h4-21,24-25,32-34H,22-23H2,1-3H3,(H,46,47)(H,40,41,43,45)/p-1/t32-,33+,34+/m0/s1
InChIKey OGRVRENGUJFCCV-LBFZIJHGSA-M
Mol Weight 766.8 g/mol
Molecular Formula C39H37N5O8PS
Exact Mass 766.210046 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9M2O496NfV8
Name 5'-O-DIMETHOXYTRITYL-3'-O-METHYLTHIOPHOSPHORYL-2'-DEOXY-N6-BENZOYLADENINE, ANION
Comments , NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C39H37N5O8PS
InChI InChI=1S/C39H38N5O8PS/c1-48-30-18-14-28(15-19-30)39(27-12-8-5-9-13-27,29-16-20-31(49-2)21-17-29)50-23-33-32(52-53(46,47)54-3)22-34(51-33)44-25-42-35-36(40-24-41-37(35)44)43-38(45)26-10-6-4-7-11-26/h4-21,24-25,32-34H,22-23H2,1-3H3,(H,46,47)(H,40,41,43,45)/p-1/t32-,33+,34+/m0/s1
InChIKey OGRVRENGUJFCCV-LBFZIJHGSA-M
Instrument Name Bruker HX-90
Literature Reference V.P.KUMAREV, L.V.BARANOVA, V.S.BOGACHEV, A.V.LEBEDEV, L.V.OBUKHOVA (1986)Bioorganich.Khim.(Russ. Lang.): v.12, N10, 1348-1358.
NMR Standard H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent not reported