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#67;TRIETHYLAMMONIUM-4-N-ACETYL-2',3'-DI-O-ACETYL-5'-CYTIDINYL-(METHYL-4,5,7,8,9-PENTA-O-ACETYL-3-DEOXY-D-GLYCERO-BETA-D-GALACTO-2-NONULOPYRANOSYLONATE)-PHOSPH
SpectraBase Compound ID Dt3s0TvGH9E
InChI InChI=1S/C35H46N3O24P.C6H15N/c1-15(39)36-26-10-11-38(34(48)37-26)32-31(59-22(8)46)29(58-21(7)45)25(60-32)14-53-63(49,50)62-35(33(47)51-9)12-23(54-17(3)41)27(56-19(5)43)30(61-35)28(57-20(6)44)24(55-18(4)42)13-52-16(2)40;1-4-7(5-2)6-3/h10-11,23-25,27-32H,12-14H2,1-9H3,(H,49,50)(H,36,37,39,48);4-6H2,1-3H3/t23-,24-,25-,27+,28+,29-,30+,31-,32-,35+;/m0./s1
InChIKey WYEHTZSXBWAWLE-TXSWTDOLSA-N
Mol Weight 1024.9 g/mol
Molecular Formula C41H61N4O24P
Exact Mass 1024.341336 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9XpVHqZLESh
Name #67;TRIETHYLAMMONIUM-4-N-ACETYL-2',3'-DI-O-ACETYL-5'-CYTIDINYL-(METHYL-4,5,7,8,9-PENTA-O-ACETYL-3-DEOXY-D-GLYCERO-BETA-D-GALACTO-2-NONULOPYRANOSYLONATE)-PHOSPH
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C41H61N4O24P
InChI InChI=1S/C35H46N3O24P.C6H15N/c1-15(39)36-26-10-11-38(34(48)37-26)32-31(59-22(8)46)29(58-21(7)45)25(60-32)14-53-63(49,50)62-35(33(47)51-9)12-23(54-17(3)41)27(56-19(5)43)30(61-35)28(57-20(6)44)24(55-18(4)42)13-52-16(2)40;1-4-7(5-2)6-3/h10-11,23-25,27-32H,12-14H2,1-9H3,(H,49,50)(H,36,37,39,48);4-6H2,1-3H3/t23-,24-,25-,27+,28+,29-,30+,31-,32-,35+;/m0./s1
InChIKey WYEHTZSXBWAWLE-TXSWTDOLSA-N
Literature Reference Author M.IZUMI,G.J.SHEN,S.WACOWICH-SGARBI,T.NAKATANI,O.PLETTENBURG, C.H.WONG
Literature Reference Citation J.AM.CHEM.SOC.,123,10909(2001)
Literature Reference DOI 10.1021/ja011382r
Solvent CD3OD
Source File Reference UWLU30811