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DEOXYTHYMIDINE-3',5'-(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)CYCLOPYROPHOSPHATE (DIASTEREOMER 1)
SpectraBase Compound ID FTRGq6oODS7
InChI InChI=1S/C22H28N4O15P2/c1-10-6-25(21(30)23-19(10)28)17-4-13(37-12(3)27)15(38-17)9-36-43(34)40-14-5-18(26-7-11(2)20(29)24-22(26)31)39-16(14)8-35-42(32,33)41-43/h6-7,13-18H,4-5,8-9H2,1-3H3,(H,32,33)(H,23,28,30)(H,24,29,31)/t13-,14-,15+,16+,17+,18+,43?/m0/s1
InChIKey NFVPITVXOIFNRP-LMDNMXSRSA-N
Mol Weight 650.43 g/mol
Molecular Formula C22H28N4O15P2
Exact Mass 650.10264 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E3PATbeCwn5
Name DEOXYTHYMIDINE-3',5'-(3'-O-ACETYLDEOXYTHYMIDIN-5'-YL)CYCLOPYROPHOSPHATE (DIASTEREOMER 2)
Comments , CONDENCING REAGENT - DCC. SCALE INVERTED (FROM REFERENCE TEXT)! NAME
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C22H28N4O15P2
InChI InChI=1S/C22H28N4O15P2/c1-10-6-25(21(30)23-19(10)28)17-4-13(37-12(3)27)15(38-17)9-36-43(34)40-14-5-18(26-7-11(2)20(29)24-22(26)31)39-16(14)8-35-42(32,33)41-43/h6-7,13-18H,4-5,8-9H2,1-3H3,(H,32,33)(H,23,28,30)(H,24,29,31)/t13-,14-,15+,16+,17+,18+,43?/m0/s1
InChIKey NFVPITVXOIFNRP-LMDNMXSRSA-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