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N(4)-Benzoyl-1-(2R,4R,5R)-4-[(benzoyloxy)methyl]-5-[2-(acetylthio)ethyl]tetrahydrofuran-2-yl]cytosine
SpectraBase Compound ID K6D25ZMcYJu
InChI InChI=1S/C27H27N3O6S/c1-19(31)37-17-15-22-12-13-24(36-22)29-16-14-23(28-27(29)34)30(25(32)20-8-4-2-5-9-20)18-35-26(33)21-10-6-3-7-11-21/h2-11,14,16,22,24H,12-13,15,17-18H2,1H3/t22-,24-/m1/s1
InChIKey FHXQYUVAOLUGMQ-ISKFKSNPSA-N
Mol Weight 521.59 g/mol
Molecular Formula C27H27N3O6S
Exact Mass 521.162057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LdQz0CAH660
Name N(4)-Benzoyl-1-(2R,4R,5R)-4-[(benzoyloxy)methyl]-5-[2-(acetylthio)ethyl]tetrahydrofuran-2-yl]cytosine
Alternate Name(s) [(1-{(2R,5R)-5-[2-(acetylsulfanyl)ethyl]tetrahydro-2-furanyl}-2-oxo-1,2-dihydro-4-pyrimidinyl)(benzoyl)amino]methyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H27N3O6S
InChI InChI=1S/C27H27N3O6S/c1-19(31)37-17-15-22-12-13-24(36-22)29-16-14-23(28-27(29)34)30(25(32)20-8-4-2-5-9-20)18-35-26(33)21-10-6-3-7-11-21/h2-11,14,16,22,24H,12-13,15,17-18H2,1H3/t22-,24-/m1/s1
InChIKey FHXQYUVAOLUGMQ-ISKFKSNPSA-N
Molecular Weight 521.588 g/mol
SMILES C1(N=C(C=CN1[C@@]1(O[C@@](CCSC(=O)C)(CC1)[H])[H])N(C(=O)c1ccccc1)COC(=O)c1ccccc1)=O
SPLASH splash10-004j-5190000000-5d2e570396dfd89c11c9
Source of Spectrum J-56-3880-39
Wiley ID 1402111