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#1AH;TRISODIUM-[PHENYL-(6R,S)-2-ACETAMIDO-3-O-BENZOYL-2,4-DIDEOXY-6-PHOSPHORYL-BETA-L-THREO-HEX-4-ENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE;HIGHER-DIASTER
SpectraBase Compound ID JwhWW728du3
InChI InChI=1S/C23H30N4O15P2.3Na/c1-11(28)25-17-13(29)9-14(41-21(17)39-12-5-3-2-4-6-12)22(43(33,34)35)42-44(36,37)38-10-15-18(30)19(31)20(40-15)27-8-7-16(24)26-23(27)32;;;/h2-9,13,15,17-22,29-31H,10H2,1H3,(H,25,28)(H,36,37)(H2,24,26,32)(H2,33,34,35);;;/q;3*+1/p-3/t13-,15-,17+,18-,19-,20-,21+,22-;;;/m0.../s1
InChIKey AUKRTEJKPBDVMA-VPUZUYRWSA-K
Mol Weight 730.39883184 g/mol
Molecular Formula C23H27N4Na3O15P2
Exact Mass 730.064123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 82WkdP6BnpX
Name #1AH;TRISODIUM-[PHENYL-(6R,S)-2-ACETAMIDO-3-O-BENZOYL-2,4-DIDEOXY-6-PHOSPHORYL-BETA-L-THREO-HEX-4-ENOPYRANOSIDE-6-YL]-(CYTIDINE-5'-YL)-PHOSPHATE;HIGHER-DIASTER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H27N4Na3O15P2
InChI InChI=1S/C23H30N4O15P2.3Na/c1-11(28)25-17-13(29)9-14(41-21(17)39-12-5-3-2-4-6-12)22(43(33,34)35)42-44(36,37)38-10-15-18(30)19(31)20(40-15)27-8-7-16(24)26-23(27)32;;;/h2-9,13,15,17-22,29-31H,10H2,1H3,(H,25,28)(H,36,37)(H2,24,26,32)(H2,33,34,35);;;/q;3*+1/p-3/t13-,15-,17+,18-,19-,20-,21+,22-;;;/m0.../s1
InChIKey AUKRTEJKPBDVMA-VPUZUYRWSA-K
Literature Reference Author R.SCHWOERER,R.R.SCHMIDT
Literature Reference Citation J.AM.CHEM.SOC.,124,1632(2002)
Literature Reference DOI 10.1021/ja017370n
Molecular Weight 730.402 g/mol
Sample ID 47613
Solvent D2O