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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 36zVlvFuv61
Name N(4)-Benzoyl-1-(4',6'-di-O-acetyl-2',3'-dideoxy-.alpha.-D-glucopyranosyl)cytosine
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(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 splash10-0006-9340000000-8b9548e978912ab728bd
Source of Spectrum H-75-1452-13
Synonyms [(2R,3S,6S)-3-(acetyloxy)-6-(4-benzamido-2-oxo-1,2-dihydropyrimidin-1-yl)oxan-2-yl]methyl acetate
Wiley ID 1381135