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3'-O-ACETYL-5'-O-(5'-O-TRITYLDEOXYTHYMID-3'-YLOXY(PHENYL)PHOSPHORYL)DEOXYTHYMIDINE (DIASTEREOMER MIXTURE)
SpectraBase Compound ID 3v23lVE5Xll
InChI InChI=1S/C47H47N4O13P/c1-30-26-50(45(55)48-43(30)53)41-24-37(60-32(3)52)40(62-41)29-59-65(57,63-36-22-14-7-15-23-36)64-38-25-42(51-27-31(2)44(54)49-46(51)56)61-39(38)28-58-47(33-16-8-4-9-17-33,34-18-10-5-11-19-34)35-20-12-6-13-21-35/h4-23,26-27,37-42H,24-25,28-29H2,1-3H3,(H,48,53,55)(H,49,54,56)/t37-,38-,39+,40+,41+,42+,65?/m0/s1
InChIKey PJDXWUNDPDRADC-ZCEFWCSBSA-N
Mol Weight 906.9 g/mol
Molecular Formula C47H47N4O13P
Exact Mass 906.287725 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IB6L1AIC1et
Name 3'-O-ACETYL-5'-O-(5'-O-TRITYLDEOXYTHYMID-3'-YLOXY(PHENYL)PHOSPHORYL)DEOXYTHYMIDINE (DIASTEREOMER MIXTURE)
Comments , SCALE INVERTED (FROM REFERENCE TEXT)! NAME DEFINED (S.T.)
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C47H47N4O13P
InChI InChI=1S/C47H47N4O13P/c1-30-26-50(45(55)48-43(30)53)41-24-37(60-32(3)52)40(62-41)29-59-65(57,63-36-22-14-7-15-23-36)64-38-25-42(51-27-31(2)44(54)49-46(51)56)61-39(38)28-58-47(33-16-8-4-9-17-33,34-18-10-5-11-19-34)35-20-12-6-13-21-35/h4-23,26-27,37-42H,24-25,28-29H2,1-3H3,(H,48,53,55)(H,49,54,56)/t37-,38-,39+,40+,41+,42+,65?/m0/s1
InChIKey PJDXWUNDPDRADC-ZCEFWCSBSA-N
Instrument Name Bruker HX-90
Literature Reference A.V.LEBEDEV, A.I.REZVUKHIN (REVIEW) (1983) Bioorganich.Khim.(Russ. Lang.): v.9,N2, 149-185.
NMR Standard -H3PO4 85%
Observed nucleus 31P
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent C5H5N pyridine