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1,2:5,6-Di-O isopropylidene-.alpha.,D-allofuranose (R)-1-Phenylbut-3-ene-1-sulfonate

View entire compound with spectra: 1 MS (GC)

1,2:5,6-Di-O isopropylidene-.alpha.,D-allofuranose (R)-1-Phenylbut-3-ene-1-sulfonate
SpectraBase Compound ID EZcdCedLwRO
InChI InChI=1S/C22H30O8S/c1-6-10-16(14-11-8-7-9-12-14)31(23,24)30-18-17(15-13-25-21(2,3)27-15)26-20-19(18)28-22(4,5)29-20/h6-9,11-12,15-20H,1,10,13H2,2-5H3/t15-,16-,17-,18-,19-,20-/m1/s1
InChIKey LLPUYGUPLPAEQX-BZIXAJQCSA-N
Mol Weight 454.53 g/mol
Molecular Formula C22H30O8S
Exact Mass 454.166139 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5UatjorZGXe
Name 1,2:5,6-Di-O isopropylidene-.alpha.,D-allofuranose (R)-1-Phenylbut-3-ene-1-sulfonate
Alternate Name(s) (1R)-1-phenyl-3-butene-1-sulfonic acid[(3aR,5R,6R,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 (1R)-1-phenylbut-3-ene-1-sulfonic acid[(3aR,5R,6R,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,6R,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 (1R)-1-phenylbut-3-ene-1-sulfonate [(3aR,5R,6R,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](1R)-1-phenylbut-3-ene-1-sulfonate (1R)-1-phenyl-3-butene-1-sulfonic acid [(3aR,5R,6R,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,6R,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] (1R)-1-phenylbut-3-ene-1-sulfonate
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Formula C22H30O8S
InChI InChI=1S/C22H30O8S/c1-6-10-16(14-11-8-7-9-12-14)31(23,24)30-18-17(15-13-25-21(2,3)27-15)26-20-19(18)28-22(4,5)29-20/h6-9,11-12,15-20H,1,10,13H2,2-5H3/t15-,16-,17-,18-,19-,20-/m1/s1
InChIKey LLPUYGUPLPAEQX-BZIXAJQCSA-N
Molecular Weight 454.534 g/mol
SMILES [C@@]1(OS([C@@](c2ccccc2)(CC=C)[H])(=O)=O)([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])[H]
SPLASH splash10-001r-0900500000-285c01ed85ab1cfde80e
Source of Spectrum KC-61-3239-20
Wiley ID 1628337