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1-[3-C-ACETOXYMETHYL-3-O-ACETYL-2-DEOXY-5-O-(4-PHENYLBENZOYL)-ALPHA-D-ERYTHRO-PENTOFURANOSYL]-4-ISOBUTYRYLCYTOSINE
SpectraBase Compound ID Ax2qMi3Fuw9
InChI InChI=1S/C31H33N3O9/c1-19(2)28(37)32-26-14-15-34(30(39)33-26)27-16-31(43-21(4)36,18-41-20(3)35)25(42-27)17-40-29(38)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-15,19,25,27H,16-18H2,1-4H3,(H,32,33,37,39)/t25-,27+,31-/m0/s1
InChIKey ALDYIFPOQSEENH-BVPGVAIFSA-N
Mol Weight 591.6 g/mol
Molecular Formula C31H33N3O9
Exact Mass 591.22168 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JIIlpLHXp4I
Name 1-[3-C-ACETOXYMETHYL-3-O-ACETYL-2-DEOXY-5-O-(4-PHENYLBENZOYL)-ALPHA-D-ERYTHRO-PENTOFURANOSYL]-4-ISOBUTYRYLCYTOSINE
Compound Number 11B-MINOR-ISOMER
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H33N3O9
InChI InChI=1S/C31H33N3O9/c1-19(2)28(37)32-26-14-15-34(30(39)33-26)27-16-31(43-21(4)36,18-41-20(3)35)25(42-27)17-40-29(38)24-12-10-23(11-13-24)22-8-6-5-7-9-22/h5-15,19,25,27H,16-18H2,1-4H3,(H,32,33,37,39)/t25-,27+,31-/m0/s1
InChIKey ALDYIFPOQSEENH-BVPGVAIFSA-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 591.618 g/mol
Solvent CDCl3
Source File Reference UWRU3775