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N(4)-Benzoyl-1-(4',6'-di-O-acetyl-2',3'-dideoxy-.alpha.-D-glucopyranosyl)cytosine
SpectraBase Compound ID J5xBCUYkOMl
InChI InChI=1S/C21H23N3O7/c1-13(25)29-12-17-16(30-14(2)26)8-9-19(31-17)24-11-10-18(23-21(24)28)22-20(27)15-6-4-3-5-7-15/h3-7,10-11,16-17,19H,8-9,12H2,1-2H3,(H,22,23,27,28)/t16-,17+,19-/m0/s1
InChIKey LATUNJRLEUAQFD-SCTDSRPQSA-N
Mol Weight 429.43 g/mol
Molecular Formula C21H23N3O7
Exact Mass 429.1536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 17yHs8VEpdA
Name Benzamide, N-[1-(4,6-di-O-acetyl-2,3-dideoxy-.beta.-d-erythro-hexopyranosyl)-1,2-dihydro-2-oxo-4-pyrimidinyl]-
CAS Registry Number 145593-78-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N3O7
InChI InChI=1S/C21H23N3O7/c1-13(25)29-12-17-16(30-14(2)26)8-9-19(31-17)24-11-10-18(23-21(24)28)22-20(27)15-6-4-3-5-7-15/h3-7,10-11,16-17,19H,8-9,12H2,1-2H3,(H,22,23,27,28)/t16-,17+,19-/m0/s1
InChIKey LATUNJRLEUAQFD-SCTDSRPQSA-N
Molecular Weight 429.429 g/mol
SMILES N(C1=NC(N([C@]2(O[C@@]([C@](CC2)(OC(=O)C)[H])(COC(=O)C)[H])[H])C=C1)=O)C(=O)c1ccccc1
SPLASH splash10-05mo-9450000000-a5c85eb9b645dcfb9184
Synonyms [3-acetoxy-6-(4-benzamido-2-oxo-pyrimidin-1-yl)tetrahydropyran-2-yl]methyl acetate [3-acetyloxy-6-(4-benzamido-2-oxidanylidene-pyrimidin-1-yl)oxan-2-yl]methyl ethanoate [3-acetyloxy-6-(4-benzamido-2-oxopyrimidin-1-yl)oxan-2-yl]methyl acetate Acetic acid [3-acetyloxy-6-(4-benzamido-2-oxo-1-pyrimidinyl)-2-oxanyl]methyl ester
Wiley ID 1485484