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1-O-[2'-(3",4"-Methylenedioxy)phenyl]propionyl - 2,3 ; 4,5-bis[O-isopropylidene]-.beta.-d-fructopyranose
SpectraBase Compound ID 6hWAn9d14P8
InChI InChI=1S/C22H28O9/c1-20(2)28-16-10-27-22(19(18(16)29-20)30-21(3,4)31-22)11-24-17(23)8-6-13-5-7-14-15(9-13)26-12-25-14/h5,7,9,16,18-19H,6,8,10-12H2,1-4H3/t16-,18-,19+,22+/m1/s1
InChIKey NTOJWIGTKWOJBB-GZHDQSLTSA-N
Mol Weight 436.46 g/mol
Molecular Formula C22H28O9
Exact Mass 436.173332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4Nr3oT8SSu
Name 1-O-[2'-(3",4"-Methylenedioxy)phenyl]propionyl - 2,3 ; 4,5-bis[O-isopropylidene]-.beta.-d-fructopyranose
Alternate Name(s) [(1R,2S,6S,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.0(2,6)]dodecan-6-yl]methyl 3-(2H-1,3-benzodioxol-5-yl)propanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O9
InChI InChI=1S/C22H28O9/c1-20(2)28-16-10-27-22(19(18(16)29-20)30-21(3,4)31-22)11-24-17(23)8-6-13-5-7-14-15(9-13)26-12-25-14/h5,7,9,16,18-19H,6,8,10-12H2,1-4H3/t16-,18-,19+,22+/m1/s1
InChIKey NTOJWIGTKWOJBB-GZHDQSLTSA-N
Molecular Weight 436.457 g/mol
SMILES [C@]12([C@]([C@@]3(OC(C)(C)O[C@@]3(CO2)[H])[H])(OC(O1)(C)C)[H])COC(=O)CCc1cc2OCOc2cc1
SPLASH splash10-00e9-7000900000-867db98699b94bcacf48
Source of Spectrum D9-7-70-11
Wiley ID 1546239