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1,2-O-Isopropylidene-6-O-p-toluenesulfonyl-3-C-vinyl-.alpha.,D-allo-furanose

View entire compound with spectra: 1 MS (GC)

1,2-O-Isopropylidene-6-O-p-toluenesulfonyl-3-C-vinyl-.alpha.,D-allo-furanose
SpectraBase Compound ID 9e4v4ZAESgs
InChI InChI=1S/C18H24O8S/c1-5-18(20)14(24-16-15(18)25-17(3,4)26-16)13(19)10-23-27(21,22)12-8-6-11(2)7-9-12/h5-9,13-16,19-20H,1,10H2,2-4H3/t13-,14-,15+,16-,18-/m1/s1
InChIKey CUZGDVKBACZPSK-XLKGFZLASA-N
Mol Weight 400.44 g/mol
Molecular Formula C18H24O8S
Exact Mass 400.119189 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8oXzkJ57IZn
Name 1,2-O-Isopropylidene-6-O-p-toluenesulfonyl-3-C-vinyl-.alpha.,D-allo-furanose
Alternate Name(s) 1,2-O-(1-methylethylidene)-6-O-[(4-methylphenyl)sulfonyl]-3-C-vinyl-.alpha.-D-allofuranose 4-Methylbenzenesulfonic acid[(2R)-2-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]ester 4-Methylbenzenesulfonic acid[(2R)-2-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-6-vinyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl]ester [(2R)-2-[(3aR,5R,6R,6aR)-6-ethenyl-2,2-dimethyl-6-oxidanyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-oxidanyl-ethyl]4-methylbenzenesulfonate [(2R)-2-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl]4-methylbenzenesulfonate [(2R)-2-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-6-vinyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl]4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid [(2R)-2-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl] ester [(2R)-2-[(3aR,5R,6R,6aR)-6-ethenyl-6-hydroxy-2,2-dimethyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-hydroxyethyl] 4-methylbenzenesulfonate [(2R)-2-[(3aR,5R,6R,6aR)-6-hydroxy-2,2-dimethyl-6-vinyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-hydroxy-ethyl] 4-methylbenzenesulfonate [(2R)-2-[(3aR,5R,6R,6aR)-6-ethenyl-2,2-dimethyl-6-oxidanyl-5,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]-2-oxidanyl-ethyl] 4-methylbenzenesulfonate
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Formula C18H24O8S
InChI InChI=1S/C18H24O8S/c1-5-18(20)14(24-16-15(18)25-17(3,4)26-16)13(19)10-23-27(21,22)12-8-6-11(2)7-9-12/h5-9,13-16,19-20H,1,10H2,2-4H3/t13-,14-,15+,16-,18-/m1/s1
InChIKey CUZGDVKBACZPSK-XLKGFZLASA-N
Molecular Weight 400.442 g/mol
SMILES O[C@@]([C@]1(O[C@]2([C@@]([C@]1(C=C)O)(OC(O2)(C)C)[H])[H])[H])(COS(c1ccc(cc1)C)(=O)=O)[H]
SPLASH splash10-0592-9510000000-29a1d0118893efbc225b
Source of Spectrum F-49-6689-32
Wiley ID 1369246