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D-Glucitol, 3,6-anhydro-1-deoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidin yl)-4,5-O-(1-methylethylidene)-, 2-benzoate

View entire compound with spectra: 1 MS (GC)

D-Glucitol, 3,6-anhydro-1-deoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidin yl)-4,5-O-(1-methylethylidene)-, 2-benzoate
SpectraBase Compound ID 5OSFC1GxKlf
InChI InChI=1S/C21H24N2O7/c1-12-9-23(20(26)22-18(12)24)10-14(28-19(25)13-7-5-4-6-8-13)16-17-15(11-27-16)29-21(2,3)30-17/h4-9,14-17H,10-11H2,1-3H3,(H,22,24,26)
InChIKey AJFFHVLGLHBIHN-UHFFFAOYSA-N
Mol Weight 416.43 g/mol
Molecular Formula C21H24N2O7
Exact Mass 416.158351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jso10fXl5cT
Name D-Glucitol, 3,6-anhydro-1-deoxy-1-(3,4-dihydro-5-methyl-2,4-dioxo-1(2H)-pyrimidin yl)-4,5-O-(1-methylethylidene)-, 2-benzoate
CAS Registry Number 53597-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H24N2O7
InChI InChI=1S/C21H24N2O7/c1-12-9-23(20(26)22-18(12)24)10-14(28-19(25)13-7-5-4-6-8-13)16-17-15(11-27-16)29-21(2,3)30-17/h4-9,14-17H,10-11H2,1-3H3,(H,22,24,26)
InChIKey AJFFHVLGLHBIHN-UHFFFAOYSA-N
Molecular Weight 416.430 g/mol
SMILES N1C(C(=CN(C1=O)CC(C1C2C(OC(O2)(C)C)CO1)OC(=O)c1ccccc1)C)=O
SPLASH splash10-066r-0950000000-647ccff9a21a8d27a204
Source of Spectrum AC-74-1391-7
Synonyms 1-{2,2-dimethyl-tetrahydro-2H-furo[3,4-d][1,3]dioxol-4-yl}-2-(5-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)ethyl benzoate 3,6-Anhydro-2-O-benzoyl-1-desoxy-4,5-O-isopropylidene-1-(thymin-1-yl)-D-glucitol Furo[3,4-d]-1,3-dioxole, D-glucitol deriv.
Wiley ID 1376272