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9-[3-O-BENZYL-5-O-(METHANESULFONYL)-4-C-[[(METHANESULFONYL)-OXY]-METHYL]-ALPHA-L-ERYTHRO-PENTOFURANOSYL]-6-N-BENZOYLADENINE

View entire compound with spectra: 1 NMR

9-[3-O-BENZYL-5-O-(METHANESULFONYL)-4-C-[[(METHANESULFONYL)-OXY]-METHYL]-ALPHA-L-ERYTHRO-PENTOFURANOSYL]-6-N-BENZOYLADENINE
SpectraBase Compound ID EwVEtcZ5i8S
InChI InChI=1S/2C27H29N5O10S2/c2*1-43(35,36)40-14-27(15-41-44(2,37)38)22(39-13-18-9-5-3-6-10-18)21(33)26(42-27)32-17-30-20-23(28-16-29-24(20)32)31-25(34)19-11-7-4-8-12-19/h2*3-12,16-17,21-22,26,33H,13-15H2,1-2H3,(H,28,29,31,34)/t2*21-,22+,26+/m11/s1
InChIKey RTDCWYOXTPOJPV-DDYWKBIASA-N
Mol Weight 1295.35 g/mol
Molecular Formula C54H58N10O20S4
Exact Mass 1294.271169 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7wlfsU3vdh4
Name 9-[3-O-BENZYL-5-O-(METHANESULFONYL)-4-C-[[(METHANESULFONYL)-OXY]-METHYL]-ALPHA-L-ERYTHRO-PENTOFURANOSYL]-6-N-BENZOYLADENINE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C54H58N10O20S4
InChI InChI=1S/2C27H29N5O10S2/c2*1-43(35,36)40-14-27(15-41-44(2,37)38)22(39-13-18-9-5-3-6-10-18)21(33)26(42-27)32-17-30-20-23(28-16-29-24(20)32)31-25(34)19-11-7-4-8-12-19/h2*3-12,16-17,21-22,26,33H,13-15H2,1-2H3,(H,28,29,31,34)/t2*21-,22+,26+/m11/s1
InChIKey RTDCWYOXTPOJPV-DDYWKBIASA-N
Literature Reference Author M.D.SORENSEN,L.KVAERNO,T.BRYLD,A.E.HAKANSSON,B.VERBEURE,G.GA UBERT,P.HERDEWIJN,J.
Literature Reference Citation J.AM.CHEM.SOC.,124,2164(2002)
Literature Reference DOI 10.1021/ja0168763
Molecular Weight 1295.350 g/mol
Sample ID 47836
Solvent CDCl3