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N(4)-Benzoyl-1-(4',6'-di-O-acetyl-2',3'-dideoxy-.beta.-D-glucopyranosyl)cytosine
SpectraBase Compound ID 3atilYKnh4D
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-/m1/s1
InChIKey LATUNJRLEUAQFD-ZHALLVOQSA-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 CLNAKcrjFkU
Name N(4)-Benzoyl-1-(4',6'-di-O-acetyl-2',3'-dideoxy-.beta.-D-glucopyranosyl)cytosine
Alternate Name(s) [(2R,3R,6R)-3-(acetyloxy)-6-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)oxan-2-yl]methyl acetate
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-/m1/s1
InChIKey LATUNJRLEUAQFD-ZHALLVOQSA-N
Molecular Weight 429.429 g/mol
SMILES N(C=1C=CN(C(N1)=O)[C@@]1(O[C@](COC(=O)C)([C@@](CC1)(OC(=O)C)[H])[H])[H])C(=O)c1ccccc1
SPLASH splash10-05mo-9540100000-82002ba76ed4c27ca2e7
Source of Spectrum H-75-1452-12
Wiley ID 1381136