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4-O-(6-O-p-Coumaroyl-.beta.,D-glucopyranosyl)-p-coumaric acid tetraacetate
SpectraBase Compound ID FLpiaSixbKi
InChI InChI=1S/C32H32O14/c1-17(33)42-24-12-8-22(9-14-28(39)43-18(2)34)25(15-24)30-32(45-20(4)36)31(44-19(3)35)29(40)26(46-30)16-41-27(38)13-7-21-5-10-23(37)11-6-21/h5-15,26,29-32,37,40H,16H2,1-4H3/b13-7+,14-9+/t26-,29-,30+,31+,32+/m1/s1
InChIKey LMQVTAZZQBWICS-STDDXHKBSA-N
Mol Weight 640.6 g/mol
Molecular Formula C32H32O14
Exact Mass 640.179206 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXpc87TKeuW
Name 4-O-(6-O-p-Coumaroyl-.beta.,D-glucopyranosyl)-p-coumaric acid tetraacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H32O14
InChI InChI=1S/C32H32O14/c1-17(33)42-24-12-8-22(9-14-28(39)43-18(2)34)25(15-24)30-32(45-20(4)36)31(44-19(3)35)29(40)26(46-30)16-41-27(38)13-7-21-5-10-23(37)11-6-21/h5-15,26,29-32,37,40H,16H2,1-4H3/b13-7+,14-9+/t26-,29-,30+,31+,32+/m1/s1
InChIKey LMQVTAZZQBWICS-STDDXHKBSA-N
Molecular Weight 640.594 g/mol
SMILES O[C@]1([C@@]([C@]([C@@](O[C@@]1(COC(\C=C\c1ccc(cc1)O)=O)[H])(c1c(\C=C\C(OC(=O)C)=O)ccc(c1)OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H]
SPLASH splash10-066r-0910000000-672d71d3c25a92c66dea
Source of Spectrum E1-39-711-4
Synonyms Acetyl (2E)-3-[4-(acetyloxy)-2-[(2S,3S,4S,5R,6R)-3,4-bis(acetyloxy)-5-hydroxy-6-({[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}methyl)oxan-2-yl]phenyl]prop-2-enoate
Wiley ID 1518835