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1,2:5,6-Di-O isopropylidene-.alpha.,D-allofuranose 1-phenylbutanesulfonate
SpectraBase Compound ID K6iJ7CFdLAf
InChI InChI=1S/C22H32O8S/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/h7-9,11-12,15-20H,6,10,13H2,1-5H3/t15-,16?,17-,18-,19-,20-/m1/s1
InChIKey OWAYQRONGKAVFI-RQYIPKLPSA-N
Mol Weight 456.6 g/mol
Molecular Formula C22H32O8S
Exact Mass 456.181789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3valknrpskJ
Name 1,2:5,6-Di-O isopropylidene-.alpha.,D-allofuranose 1-phenylbutanesulfonate
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Formula C22H32O8S
InChI InChI=1S/C22H32O8S/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/h7-9,11-12,15-20H,6,10,13H2,1-5H3/t15-,16?,17-,18-,19-,20-/m1/s1
InChIKey OWAYQRONGKAVFI-RQYIPKLPSA-N
Molecular Weight 456.550 g/mol
SMILES [C@@]1(OS(C(c2ccccc2)CCC)(=O)=O)([C@@]2([C@@](OC(O2)(C)C)(O[C@@]1([C@@]1(OC(C)(C)OC1)[H])[H])[H])[H])[H]
SPLASH splash10-01po-4900000000-b88b5e93e914bf7b89e7
Source of Spectrum KC-61-3239-16
Synonyms (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 1-phenylbutane-1-sulfonate
Wiley ID 1628340