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N2-Benzoyl-5-methyl-1-(2,3,4-tri-O-benzoyl-beta-D-ribopyranosyl)isocytosine
SpectraBase Compound ID 3RYl5jCaPKo
InChI InChI=1S/C38H31N3O9/c1-24-22-41(38(39-32(24)42)40-33(43)25-14-6-2-7-15-25)34-31(50-37(46)28-20-12-5-13-21-28)30(49-36(45)27-18-10-4-11-19-27)29(23-47-34)48-35(44)26-16-8-3-9-17-26/h2-22,29-31,34H,23H2,1H3,(H,39,40,42,43)/t29-,30-,31-,34-/m1/s1
InChIKey LZXSEZPOANEMFT-AOJVRKHOSA-N
Mol Weight 673.7 g/mol
Molecular Formula C38H31N3O9
Exact Mass 673.20603 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXCdtYgPLwv
Name N2-Benzoyl-5-methyl-1-(2,3,4-tri-O-benzoyl-beta-D-ribopyranosyl)isocytosine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C38H31N3O9
InChI InChI=1S/C38H31N3O9/c1-24-22-41(38(39-32(24)42)40-33(43)25-14-6-2-7-15-25)34-31(50-37(46)28-20-12-5-13-21-28)30(49-36(45)27-18-10-4-11-19-27)29(23-47-34)48-35(44)26-16-8-3-9-17-26/h2-22,29-31,34H,23H2,1H3,(H,39,40,42,43)/t29-,30-,31-,34-/m1/s1
InChIKey LZXSEZPOANEMFT-AOJVRKHOSA-N
Literature Reference DOI 10.1002/hlca.200690024
Molecular Weight 673.678 g/mol
SMILES N(C=1N(C=C(C(N1)=O)C)[C@]1([C@](OC(c2ccccc2)=O)([C@](OC(c2ccccc2)=O)([C@](OC(c2ccccc2)=O)(CO1)[H])[H])[H])[H])C(c1ccccc1)=O
SPLASH splash10-014i-9030001000-dcd0fb06ba51739e795a
Source of Spectrum H-89-225-2
Synonyms (2R,3R,4R,5R)-2-(2-benzamido-5-methyl-4-oxopyrimidin-1(4H)-yl)tetrahydro-2H-pyran-3,4,5-triyl tribenzoate
Wiley ID 1785648