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#36;1-[3-O-BENZYL-5-O-(METHYLSULFONYL)-4-C-(METHYLSULFONYLOXYMETHYL)-2-O-(TRIFLUOROMETHYLSULFONYL)-ALPHA-L-ERYTHRO-PENTOFURANOSYL]-3-(BENZYLOXYMETHYL)-THYMINE

View entire compound with spectra: 1 NMR

#36;1-[3-O-BENZYL-5-O-(METHYLSULFONYL)-4-C-(METHYLSULFONYLOXYMETHYL)-2-O-(TRIFLUOROMETHYLSULFONYL)-ALPHA-L-ERYTHRO-PENTOFURANOSYL]-3-(BENZYLOXYMETHYL)-THYMINE
SpectraBase Compound ID C17BqDvN5MC
InChI InChI=1S/C29H33F3N2O14S3/c1-20-14-33(27(36)34(25(20)35)19-43-15-21-10-6-4-7-11-21)26-23(48-51(41,42)29(30,31)32)24(44-16-22-12-8-5-9-13-22)28(47-26,17-45-49(2,37)38)18-46-50(3,39)40/h4-14,23-24,26H,15-19H2,1-3H3/t23-,24+,26+/m1/s1
InChIKey LHUFFZBXUILQDL-USZFVNFHSA-N
Mol Weight 786.8 g/mol
Molecular Formula C29H33F3N2O14S3
Exact Mass 786.104602 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HpkwdSRKV4Z
Name #36;1-[3-O-BENZYL-5-O-(METHYLSULFONYL)-4-C-(METHYLSULFONYLOXYMETHYL)-2-O-(TRIFLUOROMETHYLSULFONYL)-ALPHA-L-ERYTHRO-PENTOFURANOSYL]-3-(BENZYLOXYMETHYL)-THYMINE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H33F3N2O14S3
InChI InChI=1S/C29H33F3N2O14S3/c1-20-14-33(27(36)34(25(20)35)19-43-15-21-10-6-4-7-11-21)26-23(48-51(41,42)29(30,31)32)24(44-16-22-12-8-5-9-13-22)28(47-26,17-45-49(2,37)38)18-46-50(3,39)40/h4-14,23-24,26H,15-19H2,1-3H3/t23-,24+,26+/m1/s1
InChIKey LHUFFZBXUILQDL-USZFVNFHSA-N
Literature Reference Author B.R.BABU,RAUNAK,N.E.POOPEIKO,M.JUHL,A.D.BOND,V.S.PARMAR,J.WE NGEL
Literature Reference Citation EUR.J.ORG.CHEM.,2297(2005)
Literature Reference DOI 10.1002/ejoc.200500023
Molecular Weight 786.761 g/mol
Sample ID 39321
Solvent CDCl3