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1-(5-O-ACETYL-2,3-DIDEOXY-3-PHTHALIMIDO-ALPHA-D-ERYTHRO-PENTOFURANOSYL)-5-METHYL-2-METHYLTHIOPYRIMIDIN-4(1H)-ONE
SpectraBase Compound ID AhslFBCSvt
InChI InChI=1S/C21H21N3O6S/c1-11-9-23(21(31-3)22-18(11)26)17-8-15(16(30-17)10-29-12(2)25)24-19(27)13-6-4-5-7-14(13)20(24)28/h4-7,9,15-17H,8,10H2,1-3H3/t15-,16+,17-/m1/s1
InChIKey CZNQVICLVGSZOV-IXDOHACOSA-N
Mol Weight 443.47 g/mol
Molecular Formula C21H21N3O6S
Exact Mass 443.115107 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ATlDqHbvLU4
Name 1-(5-O-ACETYL-2,3-DIDEOXY-3-PHTHALIMIDO-ALPHA-D-ERYTHRO-PENTOFURANOSYL)-5-METHYL-2-METHYLTHIOPYRIMIDIN-4(1H)-ONE
Compound Number 13B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21N3O6S
InChI InChI=1S/C21H21N3O6S/c1-11-9-23(21(31-3)22-18(11)26)17-8-15(16(30-17)10-29-12(2)25)24-19(27)13-6-4-5-7-14(13)20(24)28/h4-7,9,15-17H,8,10H2,1-3H3/t15-,16+,17-/m1/s1
InChIKey CZNQVICLVGSZOV-IXDOHACOSA-N
Literature Reference Author M.A.ZAHRAN,A.E.S.ABDEL-MEGIED,A.A.H.ABDEL-RAHMAN,M.A.SOFAN,C .NIELSEN,E.B.PEDERS
Literature Reference Citation MH.CHEM.,127,979(1996)
Literature Reference DOI 10.1007/BF00807039
Molecular Weight 443.474 g/mol
Solvent DMSO-D6
Source File Reference UWMZ347