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.beta.-[3',7'-dimethyl-2',6'-octadienoyl]-D-glucopyranoside-tetrakis(trifluoroacetyl) derivative
SpectraBase Compound ID FN9W91G1boq
InChI InChI=1S/C24H22F12O11/c1-9(2)5-4-6-10(3)7-12(37)44-16-15(47-20(41)24(34,35)36)14(46-19(40)23(31,32)33)13(45-18(39)22(28,29)30)11(43-16)8-42-17(38)21(25,26)27/h5,7,11,13-16H,4,6,8H2,1-3H3/b10-7+/t11-,13-,14+,15-,16+/m1/s1
InChIKey JKBFVTUFVRSKHL-ZWLOKQEKSA-N
Mol Weight 714.41 g/mol
Molecular Formula C24H22F12O11
Exact Mass 714.097049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0Q6kWmol1j
Name .beta.-[3',7'-dimethyl-2',6'-octadienoyl]-D-glucopyranoside-tetrakis(trifluoroacetyl) derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22F12O11
InChI InChI=1S/C24H22F12O11/c1-9(2)5-4-6-10(3)7-12(37)44-16-15(47-20(41)24(34,35)36)14(46-19(40)23(31,32)33)13(45-18(39)22(28,29)30)11(43-16)8-42-17(38)21(25,26)27/h5,7,11,13-16H,4,6,8H2,1-3H3/b10-7+/t11-,13-,14+,15-,16+/m1/s1
InChIKey JKBFVTUFVRSKHL-ZWLOKQEKSA-N
Molecular Weight 714.410 g/mol
SMILES [C@@]1([C@]([C@](OC(C(F)(F)F)=O)([C@](O[C@]1(OC(\C=C\(CCC=C(C)C)C)=O)[H])(COC(C(F)(F)F)=O)[H])[H])(OC(C(F)(F)F)=O)[H])(OC(C(F)(F)F)=O)[H]
SPLASH splash10-014i-9400000000-cc1af75966f56e0aef5b
Source of Spectrum JC-595-276-0
Synonyms 1-O-[(2E)-3,7-dimethyl-2,6-octadienoyl]-2,3,4,6-tetrakis-O-(trifluoroacetyl)-.beta.-D-glucopyranose
Wiley ID 1415451