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(1,2:5,6-Di-O-isopropylidene-.alpha.-D-glucofuranos-3-O-yl)-3-oxobutanoate

View entire compound with spectra: 1 MS (GC)

(1,2:5,6-Di-O-isopropylidene-.alpha.-D-glucofuranos-3-O-yl)-3-oxobutanoate
SpectraBase Compound ID CXE0LdFeJ3h
InChI InChI=1S/C16H24O8/c1-8(17)6-10(18)20-12-11(9-7-19-15(2,3)22-9)21-14-13(12)23-16(4,5)24-14/h9,11-14H,6-7H2,1-5H3/t9-,11-,12+,13-,14-/m1/s1
InChIKey PQRYPTRBFHYEJR-RGCYKPLRSA-N
Mol Weight 344.36 g/mol
Molecular Formula C16H24O8
Exact Mass 344.147118 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8NnfFPVg8BC
Name (1,2:5,6-Di-O-isopropylidene-.alpha.-D-glucofuranos-3-O-yl)-3-oxobutanoate
Alternate Name(s) (3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-tetrahydro-2H-furo[2,3-d][1,3]dioxol-6-yl 3-oxobutanoate 3-ketobutyric acid[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ester 3-Oxobutanoic acid[(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]ester [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]3-oxidanylidenebutanoate [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]3-oxobutanoate 3-Oxobutanoic acid [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] ester [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 3-oxobutanoate [(3aR,5R,6S,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] 3-oxidanylidenebutanoate
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Formula C16H24O8
InChI InChI=1S/C16H24O8/c1-8(17)6-10(18)20-12-11(9-7-19-15(2,3)22-9)21-14-13(12)23-16(4,5)24-14/h9,11-14H,6-7H2,1-5H3/t9-,11-,12+,13-,14-/m1/s1
InChIKey PQRYPTRBFHYEJR-RGCYKPLRSA-N
Molecular Weight 344.360 g/mol
SMILES [C@]12([C@](O[C@@]([C@@]2(OC(CC(=O)C)=O)[H])([C@@]2(OC(C)(C)OC2)[H])[H])(OC(O1)(C)C)[H])[H]
SPLASH splash10-002r-9306000000-555395f88e93a04f4668
Source of Spectrum J-60-7882-6
Wiley ID 1337698