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1-[3-O-ACETYL-3-C-(TERT.-BUTYLDIMETHYLSILYLOXYMETHYL)-2-DEOXY-5-O-(4-PHENYLBENZOYL)-ALPHA-D-ERYTHRO-PENTOFURANOSYL]-4-N-ISOBUTYRILCYTOSINE
SpectraBase Compound ID Bbv5wEZjh6N
InChI InChI=1S/C35H45N3O8Si/c1-23(2)31(40)36-29-18-19-38(33(42)37-29)30-20-35(46-24(3)39,22-44-47(7,8)34(4,5)6)28(45-30)21-43-32(41)27-16-14-26(15-17-27)25-12-10-9-11-13-25/h9-19,23,28,30H,20-22H2,1-8H3,(H,36,37,40,42)/t28-,30+,35-/m0/s1
InChIKey KXKHPQURJQOGPK-MZCBYVGMSA-N
Mol Weight 663.8 g/mol
Molecular Formula C35H45N3O8Si
Exact Mass 663.297592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID hWgAflIbB2
Name 1-[3-O-ACETYL-3-C-(TERT.-BUTYLDIMETHYLSILYLOXYMETHYL)-2-DEOXY-5-O-(4-PHENYLBENZOYL)-ALPHA-D-ERYTHRO-PENTOFURANOSYL]-4-N-ISOBUTYRILCYTOSINE
Compound Number 7B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H45N3O8Si
InChI InChI=1S/C35H45N3O8Si/c1-23(2)31(40)36-29-18-19-38(33(42)37-29)30-20-35(46-24(3)39,22-44-47(7,8)34(4,5)6)28(45-30)21-43-32(41)27-16-14-26(15-17-27)25-12-10-9-11-13-25/h9-19,23,28,30H,20-22H2,1-8H3,(H,36,37,40,42)/t28-,30+,35-/m0/s1
InChIKey KXKHPQURJQOGPK-MZCBYVGMSA-N
Literature Reference Author H.M.PFUNDHELLER,P.N.JORGENSEN,U.S.SORENSEN,S.K.SHARMA,M.GRIM STRUP,C.STROECH,P.NI
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1409(1998)
Literature Reference DOI 10.1039/a708801i
Molecular Weight 663.843 g/mol
Solvent CDCl3
Source File Reference UWRU3768